6QWE
Crystal structure of KPC-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.94 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 59.929, 78.737, 56.079 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.680 - 1.400 |
| R-factor | 0.1469 |
| Rwork | 0.145 |
| R-free | 0.17670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ul8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.962 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.680 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rpim | 0.074 | 1.019 |
| Number of reflections | 52930 | 2577 |
| <I/σ(I)> | 8.5 | 1.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 2.0 M ammonium sulphate, 5% ethanol |
