2ZD2
D202K mutant of P. denitrificans Atp12p
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.160, 51.047, 67.117 |
| Unit cell angles | 102.91, 105.45, 90.07 |
Refinement procedure
| Resolution | 35.210 - 1.800 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p4x |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.082 | 0.555 |
| Number of reflections | 48230 | |
| <I/σ(I)> | 15.3 | 2.269 |
| Completeness [%] | 97.5 | 95.6 |
| Redundancy | 3.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 278 | 12% PEG 4000, 100mM Hepes-Na, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K |
