5FSX
Crystal structure of Trypanosoma brucei macrodomain in complex with ADP
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 | 2015-05-03 |
| Detector | DECTRIS PILATUS3 6M |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 65.957, 115.590, 70.440 |
| Unit cell angles | 90.00, 93.81, 90.00 |
Refinement procedure
| Resolution | 19.433 - 2.000 |
| R-factor | 0.2156 |
| Rwork | 0.214 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fsu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.161 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 1.140 |
| Number of reflections | 34730 | |
| <I/σ(I)> | 11.5 | 1.6 |
| Completeness [%] | 96.9 | 96.6 |
| Redundancy | 3.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1 M MIB (MALONIC ACID, IMIDAZOLE, BORIC ACID) PH 8.0, 25 % W/V PEG 1500 |
