5EAL
Crystal structure of human WDR5 in complex with compound 9h
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-01-13 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.191, 60.962, 64.126 |
| Unit cell angles | 110.67, 90.43, 109.47 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.1792 |
| Rwork | 0.178 |
| R-free | 0.21060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ur4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.378 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.071 | 0.031 | 0.618 |
| Total number of observations | 215444 | ||
| Number of reflections | 54564 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 94.2 | 99.1 | 90.5 |
| Redundancy | 3.9 | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 20% PEG 5K MME, 0.1 M BisTris pH6.5 |
