4Z4L
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 | 55.787, 75.543, 91.382 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.590 - 1.671 |
R-factor | 0.1649 |
Rwork | 0.163 |
R-free | 0.19790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4z4j |
RMSD bond length | 0.007 |
RMSD bond angle | 1.051 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.590 | 29.590 | 1.700 |
High resolution limit [Å] | 1.670 | 9.000 | 1.670 |
Rmerge | 0.052 | 0.050 | 0.800 |
Rpim | 0.026 | 0.027 | 0.412 |
Total number of observations | 164764 | 896 | 7776 |
Number of reflections | 37768 | ||
<I/σ(I)> | 16.1 | 45.7 | 1.8 |
Completeness [%] | 84.2 | 67.2 | 84.8 |
Redundancy | 4.4 | 4 | 4 |
CC(1/2) | 0.998 | 0.994 | 0.595 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1 M HEPES sodium pH 7.5, 0.2 M Magnesium chloride hexahydrate, 30% v/v PEG 400 |