4F2I

Crystal structure of glutaredoxin-like NrdH from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-03-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 2
Unit cell lengths	52.000, 48.180, 26.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.230 - 1.670
R-factor	0.1757
Rwork	0.172
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r7h
RMSD bond length	0.010
RMSD bond angle	1.160
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX (Autobuild)
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.340	35.340	1.760
High resolution limit [Å]	1.670	5.270	1.670
Rmerge	0.064	0.034	0.415
Number of reflections	8023
<I/σ(I)>	18.1	29.7	4
Completeness [%]	98.2	99.2	92.3
Redundancy	7	5.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	22% PEG 3350, 0.15M ammonium nitrate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K