5IT4

Crystal structure of Mycobacterium avium SerB2 mutant D343N

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)	0.9870
Spacegroup name	I 2 2 2
Unit cell lengths	66.035, 109.140, 134.024
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.626 - 2.102
R-factor	0.1852
Rwork	0.182
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p96
RMSD bond length	0.007
RMSD bond angle	0.990
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Number of reflections	28166
<I/σ(I)>	27.625
Completeness [%]	98.6
Redundancy	7.9

Crystallization Conditions

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