2NVM

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	6	277	30.0% PEG-6000, 0.1M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K

Crystal Properties
Matthews coefficient	Solvent content
2.86	56.94

Symmetry
Space Group	P 61 2 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	ADSC QUANTUM 315		2006-09-13	M	MAD

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ALS BEAMLINE 8.2.2	1.0000, 0.9795, 0.9792	ALS	8.2.2

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2.1	62.38	100	0.107	0.107	12.4	10.4		18064			49.03

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.19	2.31	100		1.375	1.375	1.8	10.7	2564

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MAD	THROUGHOUT	2.19	77.152	18015	917	99.88	0.203	0.201	0.244	RANDOM	45.913

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]
0.51	0.25		0.51		-0.76

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	35.127
r_dihedral_angle_4_deg	10.615
r_dihedral_angle_3_deg	10.47
r_scangle_it	5.85
r_scbond_it	4.351
r_dihedral_angle_1_deg	3.223
r_mcangle_it	2.64
r_mcbond_it	1.94
r_angle_refined_deg	1.895
r_angle_other_deg	1.614

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	35.127
r_dihedral_angle_4_deg	10.615
r_dihedral_angle_3_deg	10.47
r_scangle_it	5.85
r_scbond_it	4.351
r_dihedral_angle_1_deg	3.223
r_mcangle_it	2.64
r_mcbond_it	1.94
r_angle_refined_deg	1.895
r_angle_other_deg	1.614
r_mcbond_other	0.356
r_nbd_refined	0.15
r_nbtor_refined	0.137
r_symmetry_vdw_other	0.134
r_nbd_other	0.131
r_symmetry_vdw_refined	0.122
r_chiral_restr	0.116
r_xyhbond_nbd_refined	0.115
r_symmetry_hbond_refined	0.077
r_nbtor_other	0.066
r_bond_refined_d	0.016
r_gen_planes_refined	0.007
r_bond_other_d	0.005
r_gen_planes_other	0.003

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	1754
Nucleic Acid Atoms
Solvent Atoms	57
Heterogen Atoms