6WP7
Avenolide Binding Autoregulator AvaR1
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 | 2015-10-18 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.030, 78.920, 130.240 |
| Unit cell angles | 90.00, 93.33, 90.00 |
Refinement procedure
| Resolution | 39.270 - 2.400 |
| R-factor | 0.2233 |
| Rwork | 0.221 |
| R-free | 0.27540 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.581 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.270 | 2.486 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.795 | |
| Number of reflections | 64582 | 3320 |
| <I/σ(I)> | 7.62 | 1.94 |
| Completeness [%] | 98.9 | 99.96 |
| Redundancy | 2.58 | |
| CC(1/2) | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 277 | 10 % PEG 1000, 0.1M Sodium Citrate Tribasic Dihydrate pH 4.2, 0.2M Lithium sulfate, 4% v/v tert-butanol |
