5OFK
Crystal structure of CbXyn10C variant E140Q/E248Q complexed with xyloheptaose
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 | 2016-11-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976251 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 183.611, 183.611, 56.235 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.770 - 1.160 |
| R-factor | 0.1725 |
| Rwork | 0.172 |
| R-free | 0.18620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.077 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11_2567: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.770 | 1.180 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Number of reflections | 162835 | 7361 |
| <I/σ(I)> | 6.2 | 1 |
| Completeness [%] | 99.2 | 90.8 |
| Redundancy | 7.7 | 4.5 |
| CC(1/2) | 0.969 | 0.545 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG8000, 0.2 M ammonium sulphate, 0.1 M pipes at pH 7.5 |
