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 |
