4Z4J
Crystal Structure of cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus DSM 8903
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2014-10-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.968 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.687, 75.773, 91.171 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.625 - 1.542 |
R-factor | 0.1597 |
Rwork | 0.159 |
R-free | 0.18770 |
Structure solution method | MIR |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.570 |
High resolution limit [Å] | 1.540 | 4.180 | 1.540 |
Rmerge | 0.100 | 0.056 | |
Rmeas | 0.104 | 0.059 | |
Rpim | 0.029 | 0.016 | 0.392 |
Total number of observations | 766957 | ||
Number of reflections | 55473 | ||
<I/σ(I)> | 12 | ||
Completeness [%] | 96.5 | 99.4 | 71.1 |
Redundancy | 13.8 | 13.5 | 10.2 |
CC(1/2) | 0.998 | 0.741 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.1 M Na citrate tribasic dihydrate pH 5.6, 20% v/v isopropanol, 20% v/v PEG 400 |