6WP9
AvaR1 bound to Avenolide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-09-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.435, 232.525, 87.652 |
Unit cell angles | 90.00, 92.67, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.000 |
R-factor | 0.2008 |
Rwork | 0.199 |
R-free | 0.24120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wp7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.477 |
Data reduction software | HKL-2000 |
Data scaling software | autoPROC |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 116595 | 11301 |
<I/σ(I)> | 10.5 | |
Completeness [%] | 97.8 | 95.6 |
Redundancy | 4.8 | |
CC(1/2) | 0.992 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 23% PEG3350 and 0.1M sodium acetate trihydrate pH 4.5 |