5UUL
Human Bfl-1 in complex with PUMA BH3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | .97920 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.213, 43.428, 47.384 |
| Unit cell angles | 90.00, 114.39, 90.00 |
Refinement procedure
| Resolution | 43.154 - 1.330 |
| R-factor | 0.1338 |
| Rwork | 0.133 |
| R-free | 0.15520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zeq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.778 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.350 |
| High resolution limit [Å] | 1.330 | 3.610 | 1.330 |
| Rmerge | 0.061 | 0.048 | 0.280 |
| Rmeas | 0.066 | 0.051 | 0.328 |
| Rpim | 0.026 | 0.020 | 0.166 |
| Total number of observations | 208187 | ||
| Number of reflections | 35909 | ||
| <I/σ(I)> | 8.6 | ||
| Completeness [%] | 97.6 | 99.3 | 76.1 |
| Redundancy | 5.8 | 6.8 | 3 |
| CC(1/2) | 0.996 | 0.921 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.8 M ammonium sulfate, 0.1 M MES pH 7.0 |
