3U32
ATP synthase c10 ring reacted with DCCD at pH 5.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 42 2 2 |
| Unit cell lengths | 54.572, 54.572, 244.559 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.22565 |
| Rwork | 0.224 |
| R-free | 0.25400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3u2y |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.213 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.5.0109) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.112 | 0.634 |
| Number of reflections | 25071 | |
| <I/σ(I)> | 12.6 | 2.7 |
| Completeness [%] | 95.7 | 91.3 |
| Redundancy | 3.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 294 | 68% MPD, 8% propolyene glycol, 0.3M NaCl, 2mM MgSO4, 50 mM MES pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
