6QWD
Crystal structure of KPC-3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.78 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.006, 78.624, 56.008 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.177 - 1.200 |
R-factor | 0.1437 |
Rwork | 0.143 |
R-free | 0.15790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ul8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.007 |
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] | 32.880 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rpim | 0.047 | 0.566 |
Number of reflections | 83425 | 4118 |
<I/σ(I)> | 10.8 | 2 |
Completeness [%] | 100.0 | |
Redundancy | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 2.0 M Ammonium sulphate, 5% ethanol |