4EFZ
Crystal Structure of a hypothetical metallo-beta-lactamase from Burkholderia pseudomallei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.320, 83.500, 96.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.757 - 1.600 |
| R-factor | 0.1719 |
| Rwork | 0.171 |
| R-free | 0.19670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.615 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 | |
| High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
| Rmerge | 0.039 | 0.021 | 0.481 |
| Number of reflections | 83635 | 1004 | 6031 |
| <I/σ(I)> | 27.5 | 65.73 | 4.3 |
| Completeness [%] | 98.4 | 93.7 | 97.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 2 M ammonium sulfate, 100 mM BIS-TRIS pH 6.50, 20 mg/mL BupsA.15999.a.A1 PS00414, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
