7PLD
Caulobacter crescentus xylonolactonase with (R)-4-hydroxy-2-pyrrolidone
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 | 2019-02-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.747, 171.729, 79.254 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.140 - 1.700 |
R-factor | 0.1956 |
Rwork | 0.194 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gn7 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.815 |
Data reduction software | XDS (Jan 26, 2018 (BUILT 20180808)) |
Data scaling software | XDS (Jan 26, 2018 (BUILT 20180808)) |
Phasing software | MR-Rosetta |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.980 | 1.700 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.053 | 0.905 |
Rmeas | 0.075 | 1.279 |
Rpim | 0.053 | 0.905 |
Number of reflections | 73394 | 6987 |
<I/σ(I)> | 8.3 | 0.8 |
Completeness [%] | 99.3 | 95.5 |
Redundancy | 2 | 2 |
CC(1/2) | 0.998 | 0.439 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Ammonium sulfate, HEPES buffer |