5MSX
Glycoside hydrolase BT_3662
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 | 2014-02-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.827, 129.181, 158.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.440 - 2.100 |
| R-factor | 0.18931 |
| Rwork | 0.187 |
| R-free | 0.23468 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qz4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.502 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.440 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.641 | |
| Number of reflections | 91827 | |
| <I/σ(I)> | 7.5 | 2.2 |
| Completeness [%] | 99.4 | 98.2 |
| Redundancy | 3.8 | 4 |
| CC(1/2) | 0.711 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20% polyethylene glycol (PEG) 6000 and 0.1 M hepes pH 6.5 |
