7QPL

Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with phosphate 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	2020-11-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	I 21 3
Unit cell lengths	143.210, 143.210, 143.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.270 - 1.770
Rwork	0.158
R-free	0.18330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold model
RMSD bond length	0.009
RMSD bond angle	1.138
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.270	1.833
High resolution limit [Å]	1.770	1.770
Rmerge	0.096	2.942
Rmeas	0.097	2.978
Rpim	0.015	0.462
Number of reflections	47522	2558
<I/σ(I)>	22.77	1.43
Completeness [%]	95.4	54.56
Redundancy	41.4	41.3
CC(1/2)	0.999	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	0.2M Sodium Formate, 0.1M Sodium phosphate pH 6.8, 22% w/v BCS PEG smear MMW, 10% v/v glycerol