8VBT
Structure of the monofunctional Staphylococcus aureus PBP1 in its apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9774 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 177.727, 72.180, 86.910 |
Unit cell angles | 90.00, 103.58, 90.00 |
Refinement procedure
Resolution | 86.380 - 2.000 |
R-factor | 0.2368 |
Rwork | 0.235 |
R-free | 0.27270 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.894 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.380 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.200 | 0.640 |
Rpim | 0.150 | 0.470 |
Number of reflections | 72399 | 4452 |
<I/σ(I)> | 4.1 | 1.3 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 5.3 | 5.2 |
CC(1/2) | 0.974 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.18M ammonium citrate, 22% PEG 3350 |