1OL2
Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.540, 112.980, 153.089 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.000 - 2.600 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.28900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fin |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.759 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 2.760 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.110 | 0.620 |
| Total number of observations | 574133 * | |
| Number of reflections | 39765 | |
| <I/σ(I)> | 5.8 | 1 |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 14.2 |
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) |
