5MWK
Glycoside hydrolase BT_0986
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.928 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.254, 86.216, 123.200 |
| Unit cell angles | 90.00, 99.38, 90.00 |
Refinement procedure
| Resolution | 45.400 - 2.000 |
| R-factor | 0.20143 |
| Rwork | 0.199 |
| R-free | 0.23950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mqm |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.523 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.400 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 | |
| Number of reflections | 90046 | 4436 |
| <I/σ(I)> | 10 | |
| Completeness [%] | 99.0 | 98.5 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.996 | 0.512 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 15% (w/v) PEG 550 MME, 15% (w/v) 20000, 50 mM Imidazol, 50 mM MES pH 6.5, 30 mM NaF, 30 mM NaBr |
