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 |