4KZ5
Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2012-05-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.080, 76.860, 97.710 |
| Unit cell angles | 90.00, 116.26, 90.00 |
Refinement procedure
| Resolution | 45.452 - 1.350 |
| R-factor | 0.1359 |
| Rwork | 0.135 |
| R-free | 0.15640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.334 |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.452 | 1.390 | |
| High resolution limit [Å] | 1.350 | 6.040 | 1.350 |
| Rmerge | 0.040 | 0.018 | 0.482 |
| Number of reflections | 166574 | 1874 | 12065 |
| <I/σ(I)> | 18.11 | 65.08 | 3.71 |
| Completeness [%] | 97.0 | 93 | 95.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | 1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
