5LX8
Crystal structure of BT1762
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.633, 129.380, 86.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.700 - 1.760 |
| R-factor | 0.15716 |
| Rwork | 0.156 |
| R-free | 0.18853 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.572 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.700 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.091 | 0.640 |
| Number of reflections | 59338 | |
| <I/σ(I)> | 11.2 | 1.9 |
| Completeness [%] | 98.9 | 94.6 |
| Redundancy | 4 | 3.6 |
| CC(1/2) | 0.990 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.0 M ammonium sulfate, 100 mM sodium acetate pH 4.6 and 8% PEG 4000 |
