5K29
Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.358, 41.020, 53.067 |
| Unit cell angles | 90.00, 111.39, 90.00 |
Refinement procedure
| Resolution | 49.410 - 2.100 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.22300 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless (0.5.24) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.680 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.047 | 1.092 |
| Rmeas | 0.055 | 1.276 |
| Rpim | 0.029 | 0.654 |
| Total number of observations | 46818 | 3992 |
| Number of reflections | 12642 | |
| <I/σ(I)> | 14.3 | 1.4 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 3.7 | 3.8 |
| CC(1/2) | 0.998 | 0.745 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 12% PEG-3350, 0.1M DL-Malic acid. 0.001 M Bromosporine was also added but not located in the electron density. |
