5PBD
PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09682a
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 | 2013-03-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.577, 96.721, 58.029 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.010 - 1.776 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.21990 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3g0l |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.29) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.010 | 29.010 | 1.810 |
| High resolution limit [Å] | 1.780 | 8.880 | 1.780 |
| Rmerge | 0.051 | 0.032 | 0.844 |
| Rmeas | 0.055 | 0.035 | 0.920 |
| Rpim | 0.021 | 0.014 | 0.362 |
| Total number of observations | 148969 | 1272 | 7756 |
| Number of reflections | 22736 | ||
| <I/σ(I)> | 20.1 | 58.9 | 2.1 |
| Completeness [%] | 99.5 | 97.3 | 93.6 |
| Redundancy | 6.6 | 6 | 6.2 |
| CC(1/2) | 0.999 | 0.999 | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 30% PEG600 -- 0.1M MES pH 6.0 |
