5C8G
Crystal Structure Analysis of PP-BRD20 from Tb427tmp complexed with BI-2536
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97957 |
| Spacegroup name | P 41 |
| Unit cell lengths | 53.092, 53.092, 103.424 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.380 - 1.950 |
| R-factor | 0.1948 |
| Rwork | 0.193 |
| R-free | 0.23960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uyg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.960 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
| Rmerge | 0.106 | 0.044 | 0.660 |
| Rmeas | 0.118 | 0.050 | 0.739 |
| Rpim | 0.053 | 0.022 | 0.330 |
| Total number of observations | 104944 | ||
| Number of reflections | 20890 | ||
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 100.0 | 99.4 | 99.9 |
| Redundancy | 5 | 4.9 | 4.9 |
| CC(1/2) | 0.993 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% Polyethylene glycol 3,350 |
