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 |