6GRA
Human AURKA bound to BRD-7880
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-27 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 83.169, 83.169, 171.852 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.520 - 2.600 |
| R-factor | 0.21277 |
| Rwork | 0.210 |
| R-free | 0.26859 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j4z |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.291 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.930 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 11497 | 1603 |
| <I/σ(I)> | 13.3 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.6 | 8.3 |
| CC(1/2) | 0.999 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M potassium citrate, 0.1 M Bis-Tris propane pH 7.5, 20% PEG 3350, 10% ethylene glycol |
