4H71
Human Plk1-PBD in complex with Poloxime ((E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone)
Replaces: 3MHNExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-28 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.260, 102.750, 68.490 |
| Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
| Resolution | 33.180 - 1.930 |
| R-factor | 0.19076 |
| Rwork | 0.188 |
| R-free | 0.23694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1umw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.219 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.250 | 1.980 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.062 | 0.135 |
| Number of reflections | 31826 | |
| <I/σ(I)> | 15.1 | 8.9 |
| Completeness [%] | 93.3 | 95.5 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 1.4M Sodium Potassium Tartrate, 50mM MES (pH 6.5), 100mM Hepes pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
