Experiment: 1DUN

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		7		DROP: 1.4 MG/ML PROTEIN, 0.05 M IMIDAZOL MALATE BUFFER PH 7.0, 15% PEG 3400. WELL: 0.01 M IMIDAZOL MALATE BUFFER PH 7.0, 30% PEG 3400; GROWTH TIME: ABOUT 5 MONTHS.

Crystal Properties
Matthews coefficient	Solvent content
2.32	47

Symmetry
Space Group	H 3 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray						M

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		FREE R	1.9	20	10671	510	97.5	0.159	0.161	0.215	RANDOM	18.9

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]
19.3	0.6		19.7		16.1

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	24.3
p_staggered_tor	16.1
p_scangle_it	8.2
p_scbond_it	6
p_planar_tor	5.8
p_mcangle_it	4
p_mcbond_it	3.3
p_chiral_restr	0.256
p_multtor_nbd	0.25
p_singtor_nbd	0.2

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	24.3
p_staggered_tor	16.1
p_scangle_it	8.2
p_scbond_it	6
p_planar_tor	5.8
p_mcangle_it	4
p_mcbond_it	3.3
p_chiral_restr	0.256
p_multtor_nbd	0.25
p_singtor_nbd	0.2
p_xyhbond_nbd	0.11
p_planar_d	0.043
p_angle_d	0.042
p_bond_d	0.022
p_plane_restr	0.012
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor