6D5D
Structure of Caldicellulosiruptor danielii GH48 module of glycoside hydrolase WP_045175321
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-23 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.014, 57.512, 105.957 |
| Unit cell angles | 90.00, 103.38, 90.00 |
Refinement procedure
| Resolution | 103.080 - 1.900 |
| R-factor | 0.16598 |
| Rwork | 0.163 |
| R-free | 0.23122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4el8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.726 |
| Data reduction software | SAINT |
| Data scaling software | PROTEUM PLUS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.061 | 0.352 |
| Number of reflections | 53369 | 7332 |
| <I/σ(I)> | 9.95 | 1.94 |
| Completeness [%] | 99.2 | 96.4 |
| Redundancy | 5.35 | 1.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M citric acid, pH 5-6, 20% 2-propanol, 0.05 M trisodium citrate, 14-25% PEG4000 |
