6QXK
Human PIM1 bound to OX0999
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.96860 |
| Spacegroup name | P 65 |
| Unit cell lengths | 97.889, 97.889, 80.370 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 84.770 - 2.100 |
| R-factor | 0.17675 |
| Rwork | 0.175 |
| R-free | 0.20081 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c3i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.321 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.770 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.120 | 0.670 |
| Number of reflections | 25672 | 3737 |
| <I/σ(I)> | 8.8 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2M NaNO3, 0.1M bis-tris propane pH 8.5, 20% PEG 3350, 10% ethylene glycol |
