3UE7
X-ray crystal structure of a novel topological analogue of crambin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 26.447, 43.901, 28.716 |
Unit cell angles | 90.00, 108.68, 90.00 |
Refinement procedure
Resolution | 27.210 - 1.080 |
R-factor | 0.1456 |
Rwork | 0.144 |
R-free | 0.17617 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1crn |
RMSD bond length | 0.016 |
RMSD bond angle | 1.917 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.120 |
High resolution limit [Å] | 1.080 | 1.080 |
Rmerge | 0.102 | 0.310 |
Number of reflections | 26080 | |
<I/σ(I)> | 15.3 | 2.4 |
Completeness [%] | 97.1 | 77 |
Redundancy | 5.5 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 292 | 100 mM imidazole, 200 mM Zinc chloride, 7.5% Ethanol, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K |