5GHZ
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "pre-deacylation" intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-09-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.290, 45.490, 66.100 |
| Unit cell angles | 77.81, 75.48, 68.76 |
Refinement procedure
| Resolution | 37.400 - 1.930 |
| R-factor | 0.1612 |
| Rwork | 0.159 |
| R-free | 0.20440 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.088 |
| Data reduction software | SCALA |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.417 | 42.021 | 2.030 |
| High resolution limit [Å] | 1.926 | 6.090 | 1.930 |
| Rmerge | 0.042 | 0.128 | |
| Rmeas | 0.063 | 0.049 | 0.148 |
| Rpim | 0.032 | 0.024 | 0.075 |
| Total number of observations | 121668 | 4031 | 16617 |
| Number of reflections | 31135 | ||
| <I/σ(I)> | 18 | 28 | 9.8 |
| Completeness [%] | 91.2 | 95.6 | 86.3 |
| Redundancy | 3.9 | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1M Tris pH 8.0, 22.5% PEG 3350, 0.4M ammonium acetate |
