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 |