7O74
Structure of cyanase from Pseudomonas lactis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.146, 117.592, 106.991 |
Unit cell angles | 90.00, 94.26, 90.00 |
Refinement procedure
Resolution | 43.570 - 1.610 |
R-factor | 0.1641 |
Rwork | 0.164 |
R-free | 0.18980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y42 |
Data reduction software | XDS (Feb 5, 2021) |
Data scaling software | XSCALE (Feb 5, 2021) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.570 | 43.570 | 1.650 |
High resolution limit [Å] | 1.610 | 7.190 | 1.610 |
Rmerge | 0.169 | 0.055 | 2.706 |
Rmeas | 0.183 | 0.060 | 2.931 |
Total number of observations | 1407503 | ||
Number of reflections | 202687 | 2383 | 14459 |
<I/σ(I)> | 8.28 | 26.1 | 1.04 |
Completeness [%] | 97.4 | 99 | 94.2 |
Redundancy | 6.944 | 6.653 | 6.707 |
CC(1/2) | 0.997 | 0.997 | 0.241 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292.15 | MemGold B9 0.1M Potassium chloride 0.02M Tris7.0 20% w/v PEG 4000 |