1YIH

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	batch	7	298	10% PEG 6000, 10 MM POTASSIUM PHOSPHATE, 100 MM POTASSIUM CHLORIDE, 3 MM SODIUM DITHIONITE, 10 MG/ML DEOXYHB, 1 ATM N2, pH 7.0, batch, temperature 298.0K

Crystal Properties
Matthews coefficient	Solvent content
2.56	52.04

Symmetry
Space Group	P 21 21 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	169	IMAGE PLATE	RIGAKU RAXIS IV	OSMIC MIRRORS	2001-05-25	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU RU200	1.5418

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge 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	30.715	87.7	0.046	12.7	2.5		38030

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
	2	2.16	77.7		0.134	5.2	2.2	6877

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 1Y7C	2	10	2	36548	36502	2804	87.7	0.183	0.247	MATCHED TO PDB ENTRY 1Y7C	23.92

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]

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	32
p_staggered_tor	20.8
p_scangle_it	6.899
p_scbond_it	5.398
p_mcangle_it	3.031
p_planar_tor	2.4
p_mcbond_it	2.32
p_xyhbond_nbd	0.185
p_multtor_nbd	0.169
p_singtor_nbd	0.167

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	32
p_staggered_tor	20.8
p_scangle_it	6.899
p_scbond_it	5.398
p_mcangle_it	3.031
p_planar_tor	2.4
p_mcbond_it	2.32
p_xyhbond_nbd	0.185
p_multtor_nbd	0.169
p_singtor_nbd	0.167
p_chiral_restr	0.147
p_hb_or_metal_coord	0.104
p_planar_d	0.043
p_angle_d	0.027
p_bond_d	0.011
p_plane_restr	0.011
p_angle_deg
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor