ISDA: 9OZG

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	5.6	289.15	100 mM sodium citrate, pH 5.6, 200 mM ammonium chloride, 22% PEG 4000, soaked in solution containing mother liquor plus 10 mM magnesium chloride, 1 mM NADPH and 10 mM fosmidomycin analog

Unit Cell:

a: 54.141 Å b: 67.073 Å c: 118.366 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 2 21 21

Crystal Properties:

Matthew's Coefficient: 2.44 Solvent Content: 49.53

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	FREE R-VALUE	2.00	39.95	29792	3003	99.75	0.1915	0.2087	27.50

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
2.0	39.95	99.73	0.03028	?	16.56	2.0	?	29867	?	?	24.40

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	2.0	2.072	99.97	?	?	4.00	2.0	?

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 23-ID-D	1.0332	APS	23-ID-D

Software