8PCP
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 250 ms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 295 |
Detector technology | PIXEL |
Collection date | 2020-09-24 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 41.840, 41.840, 233.280 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.230 - 1.760 |
R-factor | 0.1605 |
Rwork | 0.159 |
R-free | 0.19220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.836 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.230 | 1.780 |
High resolution limit [Å] | 1.760 | 1.760 |
Number of reflections | 24839 | 1602 |
<I/σ(I)> | 10.52 | |
Completeness [%] | 100.0 | |
Redundancy | 1411 | |
CC(1/2) | 0.997 | 0.225 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | 50% CTX-M-14 solution (22 mg/ml) was mixed with 45% precipitant solution (40% PEG8000, 200mM lithium sulfate, 100mM sodium acetate, pH 4.5) and with 5% undiluted seed stock in batch crystallization setups |