5IS2

Crystal structure of Mycobacterium avium SerB2 at pH 6.6

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)	0.978
Spacegroup name	I 2 2 2
Unit cell lengths	66.476, 109.494, 133.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.139 - 1.881
R-factor	0.2048
Rwork	0.203
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p96
RMSD bond length	0.006
RMSD bond angle	0.959
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.880
Number of reflections	38932
<I/σ(I)>	29
Completeness [%]	98.4
Redundancy	7.8

Crystallization Conditions

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