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 |