4KSM

Crystal structure of Escherichia coli glutraredoxin 2 C9S/C12S mutant without glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	28.160, 78.650, 89.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.490 - 2.400
R-factor	0.2105
Rwork	0.206
R-free	0.28830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.176
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.490	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.150	0.400
Number of reflections	8139
<I/σ(I)>	5	1.8
Completeness [%]	98.7	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	277	0.1 M sodium citrate, 0.2 M ammonium acetate and 30% PEG 4000, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K