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 |