7S8K
Crystal structure of a GH12-2 family cellulase from Thermococcus sp. 2319x1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-01-24 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.346, 55.975, 91.907 |
| Unit cell angles | 90.00, 126.56, 90.00 |
Refinement procedure
| Resolution | 28.740 - 2.550 |
| R-factor | 0.1828 |
| Rwork | 0.181 |
| R-free | 0.22050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vgi |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.825 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.101 | 0.509 |
| Rpim | 0.064 | 0.382 |
| Number of reflections | 18344 | 836 |
| <I/σ(I)> | 8.66 | 1.07 |
| Completeness [%] | 99.5 | 93.1 |
| Redundancy | 3.4 | 2.3 |
| CC(1/2) | 0.998 | 0.651 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 2 M ammonium sulfate, 2% PEG400, 0.1 M Hepes pH 7.5 |
