5R4O
PanDDA analysis group deposition of ground-state model of BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF
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 | 111.800, 27.370, 38.320 |
| Unit cell angles | 90.00, 96.20, 90.00 |
Refinement procedure
| Resolution | 55.630 - 1.050 |
| R-factor | 0.1691 |
| Rwork | 0.169 |
| R-free | 0.17780 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3uv2 |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.612 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.570 | 55.570 | 1.080 |
| High resolution limit [Å] | 1.050 | 4.720 | 1.050 |
| Rmerge | 0.042 | 0.032 | 0.672 |
| Rmeas | 0.051 | 0.040 | 0.950 |
| Rpim | 0.028 | 0.022 | 0.672 |
| Total number of observations | 107275 | 1917 | 370 |
| Number of reflections | 40315 | ||
| <I/σ(I)> | 15.8 | 35.4 | 1.2 |
| Completeness [%] | 75.6 | 97.4 | 9.2 |
| Redundancy | 2.7 | 3 | 1 |
| CC(1/2) | 0.998 | 0.998 | 0.597 |
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 |
