7B3U
OXA-10 beta-lactamase with covalent modification
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.935, 97.222, 125.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.867 - 1.598 |
R-factor | 0.1563 |
Rwork | 0.155 |
R-free | 0.17670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k55 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 77.020 | 77.020 | 1.640 |
High resolution limit [Å] | 1.598 | 7.160 | 1.600 |
Rmerge | 0.152 | 0.060 | 1.275 |
Rmeas | 0.158 | 0.063 | 1.333 |
Rpim | 0.044 | 0.018 | 0.385 |
Total number of observations | 12181 | 69357 | |
Number of reflections | 80334 | 1039 | 5874 |
<I/σ(I)> | 8.9 | 21.4 | 1.7 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 12.7 | 11.7 | 11.8 |
CC(1/2) | 0.997 | 0.998 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2 M Sodium sulfate, 0.1 M Bis-Tris propane pH 6.5, 20% (w/v) PEG 3350 |