7QJN
Crystal structure of an alpha/beta-hydrolase enzyme from Candidatus Kryptobacter tengchongensis (306)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-11 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 74.920, 74.920, 116.515 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.690 - 1.885 |
R-factor | 0.2065 |
Rwork | 0.204 |
R-free | 0.24980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | alphafold model |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.880 | 2.120 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.135 | 1.841 |
Rpim | 0.033 | 0.465 |
Number of reflections | 14490 | 724 |
<I/σ(I)> | 14.8 | 1.7 |
Completeness [%] | 93.7 | |
Redundancy | 17.7 | |
CC(1/2) | 0.999 | 0.634 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.8 M sodium phosphate monobasic monohydrate / potassium phosphate dibasic pH 5.0 |