6G1G
GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and cellotriose
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 32 2 1 |
| Unit cell lengths | 73.917, 73.917, 74.936 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.100 - 1.040 |
| R-factor | 0.12509 |
| Rwork | 0.124 |
| R-free | 0.13651 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xqo |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.892 |
| 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] | 74.940 | 1.060 |
| High resolution limit [Å] | 1.030 | 1.030 |
| Rpim | 0.020 | 0.440 |
| Number of reflections | 116928 | 29079 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 99.9 | 98.7 |
| Redundancy | 9 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | Tacsimate, PEG 3350, Manganese (II) acetate |
