5GHY
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "post-acylation" 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 | 2013-09-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.240, 45.940, 65.990 |
| Unit cell angles | 76.84, 75.58, 69.07 |
Refinement procedure
| Resolution | 38.000 - 2.100 |
| R-factor | 0.1982 |
| Rwork | 0.196 |
| R-free | 0.24040 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.173 |
| Data reduction software | SCALA |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.155 | 42.401 | 2.110 |
| High resolution limit [Å] | 2.005 | 6.340 | 2.010 |
| Rmerge | 0.032 | 0.239 | |
| Rmeas | 0.079 | 0.037 | 0.276 |
| Rpim | 0.040 | 0.019 | 0.139 |
| Total number of observations | 111449 | 3620 | 15470 |
| Number of reflections | 28415 | ||
| <I/σ(I)> | 14.2 | 28.9 | 5.3 |
| Completeness [%] | 93.3 | 97 | 89.1 |
| 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 |
