2QAI
Crystal structure of the V-type ATP synthase subunit F from Pyrococcus furiosus. NESG target PfR7.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97915, 0.9795, 0.96791 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 55.814, 55.814, 159.177 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.800 - 2.400 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.23800 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.055 | 0.248 |
| Number of reflections | 18791 | |
| <I/σ(I)> | 38.19 | 13.25 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 13 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH UNDER OIL | 10 | 291 | 40% PEG 8000, 0.1M K2CO3, 10 mM Taurine, 0.1M CAPS pH 10.0, MICROBATCH UNDER OIL, temperature 291K |
