5JMA

Crystal structure of Mycobacterium avium SerB2 in complex with serine at catalytic (PSP) 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	63.968, 109.645, 134.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.561 - 2.030
R-factor	0.2132
Rwork	0.210
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p96
RMSD bond length	0.007
RMSD bond angle	0.998
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]	33.561	2.100
High resolution limit [Å]	2.030	2.030
Number of reflections	58573
<I/σ(I)>	11.529
Completeness [%]	99.3
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	277.15	25% PEG 8000, 0.1 M Magnesium acetate, 0.1 M HEPES pH 6.6, 0.1 - 0.5 M ortho phospho L- serine.