4XT5

Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98011
Spacegroup name	C 2 2 21
Unit cell lengths	69.697, 95.260, 73.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.748 - 2.130
R-factor	0.1999
Rwork	0.198
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p4g
RMSD bond length	0.010
RMSD bond angle	1.361
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.170
High resolution limit [Å]	2.130	5.780	2.130
Rmerge	0.069	0.032	0.418
Total number of observations	127251
Number of reflections	14109
<I/σ(I)>	11.2
Completeness [%]	100.0	99.7	100
Redundancy	9	8.2	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.2M Sodium Chloride, 0.1M Bis-Tris pH 6.5, 25% PEG 3350