5O2X
Extended catalytic domain of H. jecorina LPMO9A a.k.a EG4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.972425 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.820, 61.550, 47.780 |
Unit cell angles | 90.00, 112.03, 90.00 |
Refinement procedure
Resolution | 44.290 - 0.950 |
R-factor | 0.11582 |
Rwork | 0.115 |
R-free | 0.12741 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.832 |
Data reduction software | XDS (Nov. 2013) |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.300 | 0.950 |
High resolution limit [Å] | 0.950 | 0.900 |
Rmerge | 0.074 | 0.679 |
Rmeas | 0.083 | 0.780 |
Rpim | 0.036 | 0.375 |
Number of reflections | 121945 | |
<I/σ(I)> | 14.1 | |
Completeness [%] | 99.0 | |
Redundancy | 4.3 | |
CC(1/2) | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 1.6M AmSO4 0.1M Citric Acid pH 4.0 |