5R4N
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000061a
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, 27.370, 38.190 |
| Unit cell angles | 90.00, 96.01, 90.00 |
Refinement procedure
| Resolution | 55.770 - 1.280 |
| R-factor | 0.2172 |
| Rwork | 0.215 |
| R-free | 0.25730 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3uv2 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.315 |
| 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] | 22.040 | 22.040 | 1.310 |
| High resolution limit [Å] | 1.280 | 5.720 | 1.280 |
| Rmerge | 0.082 | 0.036 | 0.823 |
| Rmeas | 0.099 | 0.043 | 1.043 |
| Rpim | 0.055 | 0.024 | 0.634 |
| Total number of observations | 83710 | 1130 | 4474 |
| Number of reflections | 29269 | ||
| <I/σ(I)> | 11.7 | 40.4 | 1.3 |
| Completeness [%] | 97.3 | 97.4 | 96.1 |
| Redundancy | 2.9 | 3.1 | 2.1 |
| CC(1/2) | 0.996 | 0.998 | 0.432 |
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 |
