3EIU
A second transient position of ATP on its trail to the nucleotide-binding site of subunit B of the motor protein 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 | 2007-07-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.693, 96.867, 129.631 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.620 - 3.430 |
| R-factor | 0.249 |
| Rwork | 0.246 |
| R-free | 0.31500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c61 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.997 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.167 | 0.473 |
| Number of reflections | 12055 | |
| <I/σ(I)> | 8.493 | 1.94 |
| Completeness [%] | 91.0 | 85.7 |
| Redundancy | 3.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | 15% glycerol, 20% PEG 400, 2mM Mg2+ ATP, 0.1M Sodium Chloride, 0.1M Sodium citrate (pH 5.0), vapor diffusion,sitting drop, temperature 291K |
