6YN7
Crystal Structure of AHE enzyme from Alicyclobacillus herbarius
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-19 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.045, 93.350, 106.383 |
| Unit cell angles | 90.00, 98.69, 90.00 |
Refinement procedure
| Resolution | 98.900 - 1.980 |
| R-factor | 0.2488 |
| Rwork | 0.247 |
| R-free | 0.29790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ptv |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.456 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 105.161 | 2.267 |
| High resolution limit [Å] | 1.976 | 1.976 |
| Number of reflections | 58817 | 2941 |
| <I/σ(I)> | 7 | |
| Completeness [%] | 93.5 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.996 | 0.693 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M NaBr, 20% w/v PEG 3350 0.1 M BT Propane, pH 6.5 |
