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 |
