3QIA
Crystal structure of P-loop G237A mutant of subunit A of the A1AO ATP synthase
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 | 2009-09-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.688, 128.688, 106.292 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.320 - 2.600 |
| R-factor | 0.24296 |
| Rwork | 0.240 |
| R-free | 0.29668 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vdz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.198 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 5.590 | 2.600 |
| Rmerge | 0.061 | 0.017 | 0.450 |
| Number of reflections | 27986 | ||
| <I/σ(I)> | 12.4 | ||
| Completeness [%] | 99.9 | 99.5 | 100 |
| Redundancy | 7.1 | 6.6 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 50% (v/v) MPD, 2mM MgADP and 0.1 M acetate (pH 4.5), VAPOR DIFFUSION, HANGING DROP, temperature 291K |
