5U53
CTX-M-14 E166A with acylated ceftazidime molecule
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 | 2016-05-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 42.030, 42.030, 262.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.330 - 1.400 |
| R-factor | 0.1702 |
| Rwork | 0.169 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ylt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.063 |
| 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] | 30.320 | 30.320 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.540 | 1.400 |
| Rmerge | 0.150 | 0.049 | 0.980 |
| Rmeas | 0.158 | 0.051 | 1.268 |
| Rpim | 0.042 | 0.013 | 0.311 |
| Total number of observations | 611303 | 6001 | 34920 |
| Number of reflections | 47304 | ||
| <I/σ(I)> | 10 | 26.4 | 2.5 |
| Completeness [%] | 98.4 | 98.9 | 98.3 |
| Redundancy | 12.9 | 14.3 | 15 |
| CC(1/2) | 0.997 | 0.999 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M ammonium nitrate, 20% (w/v) PEG 3350 |
