3SE0
Structural characterization of the subunit A mutant F508W of the A-ATP synthase from Pyrococcus horikoshii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.538, 128.538, 103.865 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.860 - 2.620 |
| R-factor | 0.22675 |
| Rwork | 0.224 |
| R-free | 0.27210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vdz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.311 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.860 | 2.800 |
| High resolution limit [Å] | 2.620 | 2.700 |
| Rmerge | 0.053 | 0.412 |
| Number of reflections | 25400 | |
| <I/σ(I)> | 44.1 | 6.57 |
| Completeness [%] | 94.0 | 100 |
| Redundancy | 11.8 | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 50%(v/v) MPD, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
