1G5F
STRUCTURE OF LINB COMPLEXED WITH 1,2-DICHLOROETHANE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 2000-06-01 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 50.860, 71.890, 73.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.540 - 1.800 |
R-factor | 0.173 |
Rwork | 0.173 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cv2 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.072 | 0.359 |
Number of reflections | 54733 | |
<I/σ(I)> | 10.85 | 2.09 |
Completeness [%] | 100.0 | 100 |
Redundancy | 2.3 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.9 | 278 | 0.2 M Calcium Acetate, 18-20% PEG 6000, 0.1 M Tris Buffer pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 278K |