4B9D
Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-18 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.360, 93.660, 164.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.220 - 1.900 |
| R-factor | 0.1959 |
| Rwork | 0.195 |
| R-free | 0.22153 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4apc |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.180 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.540 |
| Number of reflections | 52249 | |
| <I/σ(I)> | 12.2 | 2.4 |
| Completeness [%] | 95.1 | 93.3 |
| Redundancy | 4.3 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2M NA/KPO4, 20% PEG 3350, 10% ETHYLENE GLYCOL, pH 7.5 |
