5R4I
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000443a
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 | 2017-03-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.400, 27.440, 38.360 |
| Unit cell angles | 90.00, 96.45, 90.00 |
Refinement procedure
| Resolution | 55.880 - 1.280 |
| R-factor | 0.2113 |
| Rwork | 0.210 |
| R-free | 0.23260 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3uv2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.445 |
| 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] | 38.120 | 38.120 | 1.310 |
| High resolution limit [Å] | 1.280 | 5.720 | 1.280 |
| Rmerge | 0.073 | 0.034 | 0.773 |
| Rmeas | 0.088 | 0.041 | 1.005 |
| Rpim | 0.049 | 0.024 | 0.636 |
| Total number of observations | 87681 | 1074 | 4643 |
| Number of reflections | 29940 | ||
| <I/σ(I)> | 8.7 | 29.4 | 1 |
| Completeness [%] | 98.7 | 94.4 | 97.2 |
| Redundancy | 2.9 | 3 | 2.1 |
| CC(1/2) | 0.997 | 0.997 | 0.518 |
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 |
