5JLP

Crystal structure of Mycobacterium avium SerB2 in complex with serine at 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	64.548, 109.535, 134.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.235 - 2.495
R-factor	0.1991
Rwork	0.191
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p96
RMSD bond length	0.008
RMSD bond angle	1.166
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.240	2.590
High resolution limit [Å]	2.495	2.500
Number of reflections	29846
<I/σ(I)>	8.65
Completeness [%]	93.8
Redundancy	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