6OQA
Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.832, 64.952, 136.055 |
| Unit cell angles | 90.00, 90.46, 90.00 |
Refinement procedure
| Resolution | 136.050 - 2.200 |
| R-factor | 0.2102 |
| Rwork | 0.208 |
| R-free | 0.25610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.165 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 136.050 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.220 |
| Number of reflections | 53422 | 5345 |
| <I/σ(I)> | 12.9 | 4.1 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES, pH 7.0, 0.2 M sodium malonate, 21% PEG3350 |
