8A21

Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium in complex with phenylimidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	I 2 2 2
Unit cell lengths	65.570, 109.740, 133.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.090 - 2.180
R-factor	0.211
Rwork	0.206
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p96
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.090	2.260
High resolution limit [Å]	2.180	2.180
Rmerge	0.112	1.531
Rmeas	0.116
Rpim	0.032	0.460
Number of reflections	25224	2238
<I/σ(I)>	16.22	1.51
Completeness [%]	98.8	87.94
Redundancy	13.3	11.6
CC(1/2)	0.999	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	290	MgCl2 0,5M; 20%PEG6000 MES 0.1M pH6.1