5IT0

Crystal structure of Mycobacterium avium SerB2 mutant D343N/D347N

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	2013-12-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.987
Spacegroup name	I 2 2 2
Unit cell lengths	65.945, 109.472, 133.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.170 - 1.968
R-factor	0.2132
Rwork	0.210
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p96
RMSD bond length	0.007
RMSD bond angle	1.017
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]	50.000	2.050
High resolution limit [Å]	1.968	1.980
Number of reflections	34256
<I/σ(I)>	16.24
Completeness [%]	98.8
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	290	22- 25% PEG 8000, 0.1 M Magnesium acetate tetrahydrate, 0.1 M HEPES pH 6.6