3P98
The crystal structure of the extended spectrum beta-lactamase TEM-72 reveals inhibition by citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.008 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.630, 90.212, 96.047 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.910 - 2.100 |
| R-factor | 0.20824 |
| Rwork | 0.201 |
| R-free | 0.28288 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zg4 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.943 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.640 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.107 | 0.343 |
| Number of reflections | 30846 | |
| <I/σ(I)> | 9 | 2.9 |
| Completeness [%] | 98.6 | 98 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.1 M sodium citrate, 0.2 M ammonium acetate, 30% PEG 4000, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
