3UKE
(S)-cMOE-BNA decamer structure
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 | IMAGE PLATE |
Collection date | 2010-02-14 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.007 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.492, 44.660, 46.596 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.240 - 1.680 |
R-factor | 0.18833 |
Rwork | 0.181 |
R-free | 0.24979 |
Structure solution method | MOLREP, (CCP4) |
Starting model (for MR) | 3ey2 |
RMSD bond length | 0.011 |
RMSD bond angle | 2.314 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.096 | 0.616 |
Number of reflections | 6236 | |
<I/σ(I)> | 29.6 | 2.41 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 7.2 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 20 mM sodium cacodylate, 6 mM sodium chloride, 40 mM potassium chloride, 6 mM spermine tetrahydrochloride, 5% v/v MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |