3E0I
Cu2+ substituted Aquifex aeolicus KDO8PS in complex with PEP
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 | 2007-05-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 84.789, 84.789, 159.902 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.200 - 1.703 |
| R-factor | 0.13467 |
| Rwork | 0.135 |
| R-free | 0.16628 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1fws |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.780 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.4) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 21.200 |
| High resolution limit [Å] | 1.680 |
| Rmerge | 0.090 |
| Number of reflections | 73530 |
| <I/σ(I)> | 26.5 |
| Completeness [%] | 96.1 |
| Redundancy | 21.6 |
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 |
