6YRS
Structure of a new variant of GNCA ancestral beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.347, 81.402, 61.037 |
| Unit cell angles | 90.00, 94.58, 90.00 |
Refinement procedure
| Resolution | 48.730 - 1.700 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b88 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.102 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.730 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 49578 | 4871 |
| <I/σ(I)> | 12.03 | |
| Completeness [%] | 97.7 | 96.72 |
| Redundancy | 3 | 2.9 |
| CC(1/2) | 0.998 | 0.588 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 9 | 293 | 100 mM Tris-HCl pH 9.0, 20% PEG200, 15% PEG4K, 10% PEG8K |
