6FOC
F1-ATPase from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 105.189, 105.189, 628.624 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.590 - 4.000 |
| R-factor | 0.3327 |
| Rwork | 0.331 |
| R-free | 0.36660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hkk |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.733 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.28) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.000 | 47.000 | 4.200 |
| High resolution limit [Å] | 4.000 | 13.270 | 4.000 |
| Rmerge | 0.125 | 0.040 | 0.512 |
| Rmeas | 0.142 | 0.046 | 0.589 |
| Rpim | 0.067 | 0.023 | 0.285 |
| Total number of observations | 149931 | 4116 | 18576 |
| Number of reflections | 35040 | 1015 | 4590 |
| <I/σ(I)> | 7 | 13.3 | 2.8 |
| Completeness [%] | 99.0 | 93.7 | 99 |
| Redundancy | 4.3 | 4.1 | 4 |
| CC(1/2) | 0.994 | 0.998 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 23% (w/v) polyethylene glycol (PEG) 4000, 300 mM magnesium formate and 100 mM Tris-HCl, pH 7.5 |
