4QIJ

Crystal structure of MenB from Mycobacteria tuberculosis in complex with 1-HNA-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	91.498, 148.315, 140.999
Unit cell angles	90.00, 103.47, 90.00

Refinement procedure

Resolution	46.580 - 2.200
R-factor	0.13
Rwork	0.127
R-free	0.18430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q52
RMSD bond length	0.008
RMSD bond angle	1.084
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.580
High resolution limit [Å]	2.200
Number of reflections	175673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.3M NaCl, 0.1M Tris-HCl pH 8.0, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K