5ZFT
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "pre-deacylation" intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-11-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.240, 45.880, 66.090 |
| Unit cell angles | 77.63, 75.51, 69.27 |
Refinement procedure
| Resolution | 35.100 - 1.930 |
| R-factor | 0.17952 |
| Rwork | 0.178 |
| R-free | 0.21759 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4blm |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.834 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.490 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.051 | 0.134 |
| Rmeas | 0.059 | 0.156 |
| Rpim | 0.030 | 0.079 |
| Number of reflections | 32004 | |
| <I/σ(I)> | 18.3 | 8.4 |
| Completeness [%] | 92.8 | 87.7 |
| Redundancy | 3.9 | 3.9 |
| CC(1/2) | 0.998 | 0.981 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1M Tris pH8.0, 25% PEG 33500, 4M ammonium acetate |
