ISDA: 4QFH

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.5	290	Morpheus screen, a8: 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD; 30mM of each MgCl2, CaCl2; 0.1 M MOPS/HEPES-Na, TrcrA.17127.a.B1.PS01519 at 25.0 mg/ml with 2.5mM glucose-6-phosphate; tray 251762a8, puck rjo4-3; cryo: direct, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K

Unit Cell:

a: 69.840 Å b: 127.030 Å c: 72.400 Å α: 90.00° β: 109.74° γ: 90.00°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 2.18 Solvent Content: 44

Refinement Statistics

Diffraction ID	Structure Solution Method	Cross Validation Method	Resolution Limit (High)	Resolution Limit (Low)	Number of Reflections (Observed)	Number of Reflections (R-free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	?	1.800	29.191	108307	5596	98.73	0.1405	0.1745	21.6434

Data Collection

Overall

Resolution Limit (High)	Resolution Limit (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
1.800	50	98.600	0.077	?	13.670	3.86	109888	108344	0	-3.000	16.850

Highest Resolution Shell

#	Resolution Limits (Low)	Resolution Limits (High)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	1.800	1.850	97.900	?	?	2.310	?	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		100 K

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	APS BEAMLINE 21-ID-G	0.97856	APS	21-ID-G

Software