4UD8
AtBBE15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-06 |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.596, 94.742, 188.298 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.371 - 2.088 |
| R-factor | 0.1855 |
| Rwork | 0.183 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d2h |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.825 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.380 | 2.210 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.191 | 0.794 |
| Number of reflections | 67102 | |
| <I/σ(I)> | 7.73 | 2.23 |
| Completeness [%] | 97.8 | 87 |
| Redundancy | 6.2 | 3.2627 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | pH 8.5 |
