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 |