4WKG
The crystal structure of apo ArnA features an unexpected central binding pocket and provides an explanation for enzymatic coop-erativity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-01-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97661 |
| Spacegroup name | P 1 |
| Unit cell lengths | 106.720, 112.820, 113.610 |
| Unit cell angles | 81.92, 82.96, 83.80 |
Refinement procedure
| Resolution | 48.157 - 2.700 |
| R-factor | 0.2067 |
| Rwork | 0.205 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z7e |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.064 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.047 | 0.720 |
| Number of reflections | 138756 | |
| <I/σ(I)> | 9.9 | 1.2 |
| Completeness [%] | 97.5 | 97.1 |
| Redundancy | 2.2 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 10% PEG8000, 0.2M Magnesium Acetate, 0.1M MOPS pH 6.5 |
