3RRL
Complex structure of 3-oxoadipate coA-transferase subunit A and B from Helicobacter pylori 26695
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-20 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.392, 65.705, 104.740 |
| Unit cell angles | 90.00, 109.81, 90.00 |
Refinement procedure
| Resolution | 39.300 - 2.290 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21700 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.019 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.340 |
| High resolution limit [Å] | 2.288 | 2.300 |
| Rmerge | 0.124 | |
| Number of reflections | 44755 | |
| <I/σ(I)> | 13 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | Sodium Citrate 20 % Peg 3000, pH 5.5, VAPOR DIFFUSION, SITTING DROP |
