6RBI
Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 142.150, 142.150, 151.540 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.732 - 2.210 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fun |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.668 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.780 | 47.780 | 2.270 |
| High resolution limit [Å] | 2.210 | 9.880 | 2.210 |
| Rmerge | 0.149 | 0.050 | 2.495 |
| Rmeas | 0.153 | 0.051 | 2.559 |
| Rpim | 0.035 | 0.012 | 0.566 |
| Total number of observations | 887820 | 9340 | 66857 |
| Number of reflections | 45740 | 620 | 3309 |
| <I/σ(I)> | 15.1 | 44.3 | 1.5 |
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 19.4 | 15.1 | 20.2 |
| CC(1/2) | 0.999 | 0.999 | 0.585 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1M HEPES pH 7.5, 0.8 M Potassium Phosphate-dibasic, 0.8 M Sodium Phosphate monobasic |
