5POF
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10941a
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 | 2014-08-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.697, 56.482, 102.092 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.149 - 2.270 |
| R-factor | 0.173 |
| Rwork | 0.169 |
| R-free | 0.24920 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5amf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.069 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.149 | 29.150 | 2.330 |
| High resolution limit [Å] | 2.270 | 10.150 | 2.270 |
| Rmerge | 0.175 | 0.030 | 0.964 |
| Rmeas | 0.190 | 0.033 | 1.070 |
| Rpim | 0.073 | 0.013 | 0.452 |
| Total number of observations | 100666 | 1206 | 5511 |
| Number of reflections | 15299 | ||
| <I/σ(I)> | 10.7 | 45.5 | 1.9 |
| Completeness [%] | 99.0 | 95.7 | 94.1 |
| Redundancy | 6.6 | 5.8 | 5.2 |
| CC(1/2) | 0.994 | 0.999 | 0.651 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |
