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 |