3DSR
ADP in transition binding site in the subunit B of the energy converter 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 | 2008-04-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.209, 95.944, 130.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.080 - 2.700 |
| R-factor | 0.201 |
| Rwork | 0.198 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c61 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.442 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.080 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.081 | 0.458 |
| Number of reflections | 24440 | |
| <I/σ(I)> | 12.56 | 2.7 |
| Completeness [%] | 93.3 | 78.48 |
| Redundancy | 3.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | 15% (v/v) glycerol, 20% (v/v) PEG 400, 0.1M NaCl, 0.1M sodium citrate (pH 5.0), 2mM TCEP, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
