5R4M
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000513a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.846, 27.385, 38.245 |
| Unit cell angles | 90.00, 96.08, 90.00 |
Refinement procedure
| Resolution | 55.670 - 1.110 |
| R-factor | 0.2031 |
| Rwork | 0.202 |
| R-free | 0.22110 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3uv2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.195 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.950 | 29.950 | 1.160 |
| High resolution limit [Å] | 1.110 | 3.490 | 1.110 |
| Rmerge | 0.030 | 0.024 | 0.244 |
| Rmeas | 0.036 | 0.029 | 0.340 |
| Rpim | 0.020 | 0.016 | 0.237 |
| Total number of observations | 107305 | 4898 | 3369 |
| Number of reflections | 40871 | ||
| <I/σ(I)> | 15.8 | 44.3 | 2.2 |
| Completeness [%] | 87.7 | 97.6 | 42 |
| Redundancy | 2.6 | 3.2 | 1.2 |
| CC(1/2) | 0.999 | 0.998 | 0.856 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 30% PEG4000, 0.1M Tris pH 8.5, 0.2M MgCl2 |
