4C6Y
Ancestral PNCA (last common ancestors of Gram-positive and Gram- negative bacteria) beta-lactamase class A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-25 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.581, 57.473, 240.401 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.703 - 1.799 |
| R-factor | 0.143 |
| Rwork | 0.142 |
| R-free | 0.17000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b88 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.302 |
| 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] | 46.700 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.460 |
| Number of reflections | 52107 | |
| <I/σ(I)> | 19 | 4.3 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 6.5 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | CAPILLARY COUNTERDIFFUSION 20%PEG 400, 15%PEG 4K, 10% PEG 8K, TRIS-HCL 0.1M PH 7.0 |
