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 |