5NJW
Crystal Structure of BJP-1 metallo beta-lactamase in complex with boric acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.370, 44.620, 76.120 |
| Unit cell angles | 78.80, 89.13, 61.79 |
Refinement procedure
| Resolution | 32.140 - 1.250 |
| R-factor | 0.13318 |
| Rwork | 0.132 |
| R-free | 0.16209 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lvz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.535 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.140 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.090 | 0.488 |
| Number of reflections | 126849 | 120271 |
| <I/σ(I)> | 8.5 | 3.4 |
| Completeness [%] | 95.5 | 95.48 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.996 | 0.976 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 0.2 M Lithium Suplhate, 30-35 % PEG400, 0.5 M sodium acetate, pH 8.5 |
