3OEI

Crystal structure of Mycobacterium tuberculosis RelJK (Rv3357-Rv3358-RelBE3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	42.219, 187.512, 113.881
Unit cell angles	90.00, 94.46, 90.00

Refinement procedure

Resolution	40.506 - 2.145
R-factor	0.2058
Rwork	0.203
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g5o
RMSD bond length	0.008
RMSD bond angle	1.040
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_403)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.230
High resolution limit [Å]	2.145	4.630	2.150
Rmerge	0.066	0.031	0.403
Number of reflections	86296
<I/σ(I)>	8.7
Completeness [%]	89.8	84.4	90.4
Redundancy	2.2	2.4	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	20% 2-propanol, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 20% PEG 4000, vapor diffusion, hanging drop, temperature 277K