5R4J
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000280a
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 | 112.040, 27.430, 38.240 |
| Unit cell angles | 90.00, 96.06, 90.00 |
Refinement procedure
| Resolution | 55.770 - 1.390 |
| R-factor | 0.2028 |
| Rwork | 0.201 |
| R-free | 0.24090 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3uv2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.378 |
| 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] | 29.970 | 29.970 | 1.430 |
| High resolution limit [Å] | 1.390 | 6.220 | 1.390 |
| Rmerge | 0.050 | 0.025 | 0.824 |
| Rmeas | 0.061 | 0.030 | 1.024 |
| Rpim | 0.033 | 0.016 | 0.599 |
| Total number of observations | 72919 | 908 | 4392 |
| Number of reflections | 22942 | ||
| <I/σ(I)> | 13.2 | 43.2 | 1.2 |
| Completeness [%] | 97.0 | 97.3 | 94.7 |
| Redundancy | 3.2 | 3.1 | 2.7 |
| CC(1/2) | 0.999 | 0.999 | 0.465 |
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 |
