4C75
Consensus (ALL-CON) beta-lactamase class A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.715, 118.834, 118.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.850 - 2.200 |
| R-factor | 0.1813 |
| Rwork | 0.179 |
| R-free | 0.22760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b88 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.880 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.130 | 0.660 |
| Number of reflections | 58758 | |
| <I/σ(I)> | 13.13 | 3.15 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | COUNTERDIFFUSION CSK24KIT C18: 25% PEG 4K, 0.2M NH4 SULPHATE, 0.1M NA- ACETATE PH 4.60 |
