5FQB
Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-21 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.147, 61.117, 69.390 |
| Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
| Resolution | 21.642 - 1.899 |
| R-factor | 0.1444 |
| Rwork | 0.140 |
| R-free | 0.18070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c09 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.245 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.640 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.090 |
| Number of reflections | 17335 | |
| <I/σ(I)> | 17.77 | 5.2 |
| Completeness [%] | 98.4 | 95.4 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2 M AMMONIUM SULFATE, 0.1 M BIS TRIS, 25 % W/V PEG 3350 PH 5.5, 1 MM TCEP. |
