8Q4S

Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP4 and magnesium.

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	2023-04-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	I 21 3
Unit cell lengths	144.080, 144.080, 144.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.560 - 2.080
R-factor	0.1873
Rwork	0.185
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.825
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]	45.560	2.156
High resolution limit [Å]	2.080	2.082
Rmerge	0.150	1.696
Rmeas	0.152	1.720
Rpim	0.024	0.281
Number of reflections	29832	2908
<I/σ(I)>	19.03	2.35
Completeness [%]	99.8	98.18
Redundancy	40.2
CC(1/2)	0.999	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 3350, sodium malonate, Bis-Tris propane