5TWE
CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2016-03-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 41.610, 41.610, 232.234 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.617 - 1.500 |
| R-factor | 0.1511 |
| Rwork | 0.150 |
| R-free | 0.16920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ylt |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.460 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.430 | 38.700 | 1.940 |
| High resolution limit [Å] | 1.500 | 9.110 | 1.900 |
| Rmerge | 0.214 | 0.097 | 0.301 |
| Rmeas | 0.238 | 0.108 | 0.322 |
| Rpim | 0.099 | 0.045 | 0.112 |
| Total number of observations | 123391 | 1084 | 9410 |
| Number of reflections | 71895 | ||
| <I/σ(I)> | 6 | 8.5 | 5 |
| Completeness [%] | 99.2 | 83.2 | 99.8 |
| Redundancy | 6.4 | 5.7 | 8 |
| CC(1/2) | 0.917 | 0.979 | 0.897 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M lithium acetate, 20% (w/v) PEG 3350 |
