7PLB
Caulobacter crescentus xylonolactonase with D-xylose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-22 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 85.840, 170.950, 79.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.470 - 1.730 |
R-factor | 0.1825 |
Rwork | 0.181 |
R-free | 0.21780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gn7 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.692 |
Data reduction software | xia2 (0.5.655-g749651b0-dials-1.11) |
Data scaling software | DIALS (1.11.4-g9c616a499-release) |
Phasing software | MR-Rosetta |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.580 | 1.790 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.049 | 0.719 |
Rmeas | 0.069 | 1.017 |
Rpim | 0.049 | 0.719 |
Number of reflections | 61016 | 6025 |
<I/σ(I)> | 9.2 | 1.1 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 2 | 2 |
CC(1/2) | 0.998 | 0.564 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Ammonium sulfate, HEPES buffer |