8DPQ
Beta-lactamase CTX-M-14 N170A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-02-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 41.418, 41.418, 230.493 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.400 - 1.670 |
R-factor | 0.17383 |
Rwork | 0.171 |
R-free | 0.23292 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ylt |
RMSD bond length | 0.026 |
RMSD bond angle | 2.171 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.400 | 1.730 |
High resolution limit [Å] | 1.670 | 1.671 |
Rmeas | 0.071 | 0.180 |
Number of reflections | 27171 | 2567 |
<I/σ(I)> | 9 | |
Completeness [%] | 97.3 | |
Redundancy | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M Sodium HEPES pH7.5, 25% (w/v) PEG 8000 |