6FM6
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.885, 78.345, 48.190 |
| Unit cell angles | 90.00, 106.63, 90.00 |
Refinement procedure
| Resolution | 26.430 - 1.050 |
| R-factor | 0.11513 |
| Rwork | 0.114 |
| R-free | 0.12944 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gzb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.476 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.350 | 1.110 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.039 | 0.114 |
| Rmeas | 0.043 | 0.155 |
| Number of reflections | 141631 | 15018 |
| <I/σ(I)> | 18.2 | 4.7 |
| Completeness [%] | 93.5 | 68 |
| Redundancy | 3.6 | 1.5 |
| CC(1/2) | 0.999 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% wt/vol PEG-8000, 0.2 M ammonium sulfate and 0.1 M sodium cacodylate, pH 6.5 |
