3WXC
Crystal Structure of IMP-1 metallo-beta-lactamase complexed with a 3-aminophtalic acid inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.994, 52.795, 198.384 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.100 |
| R-factor | 0.23454 |
| Rwork | 0.233 |
| R-free | 0.27181 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Unpublished data |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.138 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.940 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.079 | 0.394 |
| Number of reflections | 31542 | |
| <I/σ(I)> | 11.9 | 3.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.55 | 6.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 24% PEG MME 2000, 0.2M ammonium sulfate, 2mM Dithiothreitol, 0.1M sodium acetate, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
