3E12
Cu2+ substituted Aquifex aeolicus KDO8PS in complex with KDO8P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 84.747, 84.747, 160.309 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.300 - 1.700 |
| R-factor | 0.16804 |
| Rwork | 0.167 |
| R-free | 0.19559 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1fww |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.524 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.4) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 22.300 |
| High resolution limit [Å] | 1.700 |
| Rmerge | 0.106 |
| Number of reflections | 73254 |
| <I/σ(I)> | 23.6 |
| Completeness [%] | 98.9 |
| Redundancy | 21.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 277 | PEG 4000, NA ACETATE, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
