5JLR

Crystal structure of Mycobacterium avium SerB2 with serine present at slightly different position near ACT domain

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	2013-12-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	I 2 2 2
Unit cell lengths	67.498, 107.805, 133.743
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.195 - 2.261
R-factor	0.194
Rwork	0.189
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p96
RMSD bond length	0.007
RMSD bond angle	1.032
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]	24.195	2.300
High resolution limit [Å]	2.260	2.260
Number of reflections	22857
<I/σ(I)>	21.52
Completeness [%]	98.5
Redundancy	7.2

Crystallization Conditions

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