3DZT
AeD7-leukotriene E4 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-21 |
Detector | MAR225 CCD |
Wavelength(s) | 0.97902 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.567, 65.307, 52.195 |
Unit cell angles | 90.00, 112.34, 90.00 |
Refinement procedure
Resolution | 32.650 - 1.800 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.20100 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.361 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | FFT (difference fourier) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.069 | 0.183 |
Number of reflections | 28456 | |
<I/σ(I)> | 10.25 | |
Completeness [%] | 99.5 | 99 |
Redundancy | 6.5 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 16-20 % PEG 6000, 0.1 M Tris HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |