7LVH
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 91.514, 91.514, 172.145 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.670 - 2.650 |
| R-factor | 0.2668 |
| Rwork | 0.265 |
| R-free | 0.29880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.9.3L) |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.480 | 2.740 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmeas | 0.097 | |
| Number of reflections | 24933 | 2458 |
| <I/σ(I)> | 10.9 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.7 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 0.9 M ammonium sulfate, 0.14 M sodium chloride, 0.1 M Bis-Tris pH 5.5, and 1% PEG 3350 |
