7MSO
Crystal Structure of Polo Box Domain in Complex with Cyclic Peptide Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-09-24 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.282, 64.652, 70.163 |
| Unit cell angles | 90.00, 92.49, 90.00 |
Refinement procedure
| Resolution | 14.830 - 1.850 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fvh |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 15.000 | 15.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.960 | 1.850 |
| Rmerge | 0.064 | 0.046 | 0.380 |
| Number of reflections | 43552 | 4452 | 4282 |
| <I/σ(I)> | 19.5 | ||
| Completeness [%] | 99.5 | 99.1 | 98.7 |
| Redundancy | 4.1 | 4.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.5 | 298 | 0.1 M Bis-Tris pH 5.5, 2.75 M NaCl |
