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 |