8ISO
Crystal structure of extended-spectrum class A beta-lactamase, CESS-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97942 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.580, 61.580, 149.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.470 - 1.290 |
R-factor | 0.1706 |
Rwork | 0.170 |
R-free | 0.18770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o7e |
RMSD bond length | 0.006 |
RMSD bond angle | 0.962 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.350 |
High resolution limit [Å] | 1.290 | 1.290 |
Number of reflections | 73173 | 9146 |
<I/σ(I)> | 18.27 | |
Completeness [%] | 99.9 | |
Redundancy | 25.1 | |
CC(1/2) | 0.999 | 0.893 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 288 | 0.1 M Bis-Tris pH 6.5, 20% (w/v) polyethylene glycol (PEG) monomethyl ether (MME) 5000 |