3WQM

Crystal structure of Rv3378c with inhibitor BPH-629

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-25
Detector	ADSC QUANTUM 315r
Spacegroup name	P 43 21 2
Unit cell lengths	105.417, 105.417, 65.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.100
Rwork	0.197
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wqk
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.053	0.397
Number of reflections	21574
<I/σ(I)>		6.4
Completeness [%]	99.3	97.6
Redundancy	10.2	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1