5ZVL

Crystal Structure of Wheat Glutarredoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2015-04-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	I 2 2 2
Unit cell lengths	92.557, 173.636, 175.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.860 - 2.963
R-factor	0.2554
Rwork	0.254
R-free	0.27890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e7p
RMSD bond length	0.025
RMSD bond angle	2.136
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.990
High resolution limit [Å]	2.940	7.970	2.940
Rmerge	0.094	0.046	0.695
Rmeas	0.098	0.048	0.725
Rpim	0.027	0.014	0.204
Number of reflections	29640	1606	1447
<I/σ(I)>	27.5		3.71
Completeness [%]	100.0	99.9	100
Redundancy	13	11.5	12.4
CC(1/2)	0.940	0.999	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	1.65 M ammonium sulfate, 0.08 M Sodium acetate, pH 4.6, 20% glycerol, and 10 mM GSH