9FQC

Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in copmplex with O-Phosphoserine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0439
Spacegroup name	I 21 3
Unit cell lengths	145.250, 145.250, 145.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.310 - 2.350
R-factor	0.1613
Rwork	0.160
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.823
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.310	2.434
High resolution limit [Å]	2.350	2.350
Rmerge	0.134	1.516
Rmeas	0.135	1.536
Rpim	0.021	0.241
Number of reflections	21468	2136
<I/σ(I)>	25.29	2.55
Completeness [%]	99.9	100
Redundancy	40.5	40.1
CC(1/2)	1.000	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2M sodium malonate, 0.1M Bis-tris propane, PEG3350