6Q63
BT0459
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 175.842, 186.880, 242.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.800 - 2.440 |
| R-factor | 0.21194 |
| Rwork | 0.211 |
| R-free | 0.23493 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rcn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.279 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.750 | 2.480 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Number of reflections | 147443 | |
| <I/σ(I)> | 12.2 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 7.5 |
| CC(1/2) | 0.998 | 0.551 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM sodium acetate, 100 mM Bis-Tris propane pH 7.5, 10 % PEG 3350 |
