4CHG

Crystal structure of VapBC15 complex from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-28
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	86.160, 131.200, 149.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.062 - 2.100
R-factor	0.1691
Rwork	0.167
R-free	0.19970
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	iMOSFLM
Data scaling software	SCALEPACK
Phasing software	Auto-Rickshaw
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.060	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.130	0.640
Number of reflections	189170
<I/σ(I)>	14.1	4.5
Completeness [%]	99.3	99.8
Redundancy	12.6	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		100 MM SODIUM HEPES PH. 7.0, 8% PEG 8000 AND 10 MM BME