3GC8
The structure of p38beta C162S in complex with a dihydroquinazolinone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.124, 157.710, 60.360 |
| Unit cell angles | 90.00, 91.57, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.21171 |
| Rwork | 0.208 |
| R-free | 0.27192 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gc7 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.389 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 28642 | |
| <I/σ(I)> | 8.9 | 1.2 |
| Completeness [%] | 99.2 | 94 |
| Redundancy | 4.9 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | 12% PEG 3350, 0.12 M ammonium fluoride, 30 uM CTAB, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
