5M77
a GH76 family enzyme structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97959 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.060, 85.170, 101.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.930 - 1.460 |
| R-factor | 0.12288 |
| Rwork | 0.121 |
| R-free | 0.16524 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d4a |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.741 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.930 | 1.500 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.050 | |
| Number of reflections | 127095 | |
| <I/σ(I)> | 16.2 | 1.4 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 6.5 | 5.8 |
| CC(1/2) | 0.999 | 0.531 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 0.1 M AMMONIUM NITRATE, PH 6.5, 20% PEG 3350 |
