6D5B
Structure of Caldicellulosiruptor danielii CBM3 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 | 2016-06-06 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 86.167, 86.199, 86.567 |
| Unit cell angles | 83.87, 83.93, 60.55 |
Refinement procedure
| Resolution | 85.910 - 2.000 |
| R-factor | 0.18121 |
| Rwork | 0.178 |
| R-free | 0.24275 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zqw |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.673 |
| 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 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.728 | |
| Number of reflections | 144145 | 19299 |
| <I/σ(I)> | 7.64 | 1.07 |
| Completeness [%] | 99.1 | 97.5 |
| Redundancy | 5.22 | 3.72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 8% Tacsimate, pH 4-5, 14-25% PEG3350 |
