3OCB
Akt1 kinase domain with pyrrolopyrimidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-05-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.265, 56.013, 91.650 |
| Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
| Resolution | 29.720 - 2.700 |
| R-factor | 0.21686 |
| Rwork | 0.214 |
| R-free | 0.28169 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.240 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.187 | 0.448 |
| Number of reflections | 23237 | |
| <I/σ(I)> | 7.9 | 2.1 |
| Completeness [%] | 98.3 | 95.2 |
| Redundancy | 3.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Under oil | 7.5 | 293 | 20% PEG 4000, 100mM Hepes, 10% Isopropanol, 10 mg/ml Akt1 kinase domain, 0.6 mM GSK 3 beta peptide, pH 7.5, Under oil, temperature 293K |
