5BO5
Structure of a unique ATP synthase subunit NeqB from Nanoarcheaum equitans
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 | 2014-02-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97928 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.229, 155.233, 177.451 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.780 - 2.808 |
R-factor | 0.2176 |
Rwork | 0.216 |
R-free | 0.25680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gqb |
RMSD bond length | 0.009 |
RMSD bond angle | 1.262 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.560 | |
Number of reflections | 50654 | |
<I/σ(I)> | 23 | 2 |
Completeness [%] | 98.3 | 91.8 |
Redundancy | 13 | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 280 | 100mM HEPES, 200mM mgCl2, 30% PEG 400 |