6G1I
GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and fructosylated cellopentaose
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 | 2016-04-18 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.140, 74.173, 77.328 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.590 - 0.990 |
R-factor | 0.13138 |
Rwork | 0.131 |
R-free | 0.14734 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xqo |
RMSD bond length | 0.016 |
RMSD bond angle | 1.887 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.170 | 1.010 |
High resolution limit [Å] | 0.990 | 0.990 |
Number of reflections | 215828 | 6811 |
<I/σ(I)> | 12.6 | |
Completeness [%] | 95.3 | 62 |
Redundancy | 5.6 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | Tacsimate, PEG 3350, Manganese (II) acetate |