4PMD
Crystal structure of CbXyn10B from Caldicellulosiruptor bescii and its mutant(E139A) in complex with hydrolyzed xylotetraose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.319, 80.817, 115.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.440 - 1.700 |
R-factor | 0.1929 |
Rwork | 0.192 |
R-free | 0.21210 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.579 |
Data reduction software | HKL-2000 |
Data scaling software | HKL |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.084 | 0.067 | 0.198 |
Total number of observations | 634627 | ||
Number of reflections | 43766 | ||
<I/σ(I)> | 16.9 | ||
Completeness [%] | 98.9 | 98.7 | 97.8 |
Redundancy | 14.5 | 13.5 | 14.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8.5 | 287 | 25% PEG 3350,0.1 M Tris-HCl pH8.5 |