1OL1
Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.498, 113.471, 154.482 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.000 - 2.900 |
| R-factor | 0.209 |
| Rwork | 0.206 |
| R-free | 0.29100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fin |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.419 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.120 | 0.460 * |
| Total number of observations | 648091 * | |
| Number of reflections | 29357 | |
| <I/σ(I)> | 2.8 | 1.5 |
| Completeness [%] | 98.9 | 98.9 |
| Redundancy | 22.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 22% PEG 3350, 0.1M NA3-CIT, PH 7.80 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7-8 (mg/ml) | |
| 2 | 1 | drop | HEPES | 40 (mM) | pH7.0 |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | reservoir | PEG3350 | 18 (%) | |
| 6 | 1 | reservoir | trisodium citrate | 100 (mM) |
