3IKJ
Structural characterization for the nucleotide binding ability of subunit A mutant S238A of the A1AO ATP synthase
Experimental 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 | 2008-12-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.214, 128.214, 105.825 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.840 - 2.400 |
| R-factor | 0.24267 |
| Rwork | 0.239 |
| R-free | 0.30363 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vdz |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.797 |
| 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] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 33167 | |
| <I/σ(I)> | 26.6 | 5.32 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 12.2 | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 50%(v/v) MPD, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
