3I7V
Crystal structure of AP4A hydrolase complexed with AP4A (ATP) (aq_158) from Aquifex aeolicus Vf5
Replaces: 2PQ1Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-12 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.301, 59.234, 67.419 |
| Unit cell angles | 90.00, 92.61, 90.00 |
Refinement procedure
| Resolution | 35.270 - 1.950 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i7u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.047 | 0.227 |
| Total number of observations | 107834 | |
| Number of reflections | 20328 | |
| Completeness [%] | 99.8 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 293 | 0.1M Tris-Hcl, 25% PEG 3350, 0.2M NaCl, pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
