5JJB

Crystal structure of Mycobacterium avium SerB2 mutant D343G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	I 2 2 2
Unit cell lengths	66.101, 109.507, 133.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.880 - 2.305
R-factor	0.1924
Rwork	0.187
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p96
RMSD bond length	0.007
RMSD bond angle	1.026
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.880	2.350
High resolution limit [Å]	2.300	2.310
Number of reflections	20917
<I/σ(I)>	18.3
Completeness [%]	96.2
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	22-23% PEG 8000, 0.1M Magnesium acetate tetrahydrate, 0.1M HEPES pH 6.6