5NJ2

Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-07
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1
Unit cell lengths	39.591, 41.683, 76.841
Unit cell angles	101.28, 90.11, 90.43

Refinement procedure

Resolution	75.360 - 1.190
R-factor	0.16797
Rwork	0.167
R-free	0.18953
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gdn
RMSD bond length	0.021
RMSD bond angle	2.185
Refinement software	REFMAC (7.0.033)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.360	1.230
High resolution limit [Å]	1.190	1.190
Rmerge	0.063	0.573
Rpim	0.041	0.467
Number of reflections	96841	689
<I/σ(I)>	11.3	1.2
Completeness [%]	62.7
Redundancy	3.2	2
CC(1/2)	0.998	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium acetate buffer, pH 5.0, 25% PEG1500