ISDA: 2C4J

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.00	?	HANGING DROP VAPOUR TECHNIQUE. 5 MICRLITRES OF PROTEIN AT 10MG/ML IN 20 MM TRIS-HCL, PH 8.0 WERE MIXED WITH 5 MICROLITRES OF RESERVOIR SOLUTION CONTAINING 100 MM TRIS-HCL, PH 7.8, 2MM DTT, 25% PEG 4000 AND 1 MICROLITRE OF 20MM GLUTATHIONE CONJUGATE WITH STYRENE OXIDE

Unit Cell:

a: 62.176 Å b: 67.768 Å c: 115.705 Å α: 90.00° β: 99.06° γ: 90.00°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 2.06 Solvent Content: 39.92

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	THROUGHOUT	1.35	30.00	194076	10227	98.3	0.195	0.213	18.63

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
1.350	30.000	98.2	0.08000	?	23.0000	3.200	?	194076	?	2.800	14.05

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	1.35	1.37	87.8		?	2.800	2.30

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		100.0 K

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	ESRF BEAMLINE ID14-2	?	ESRF	ID14-2

Software