4FJR
Mode of interaction of Merocyanine 540 with HEW Lysozyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-12-08 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.770, 78.770, 37.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.690 - 1.860 |
R-factor | 0.23 |
Rwork | 0.230 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 193l |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | AUTOMAR |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.000 | 1.930 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.091 | 0.328 |
<I/σ(I)> | 1.6 | |
Completeness [%] | 98.6 | 94.5 |
Redundancy | 4.27 | 3.96 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 7% NaCl in 100mM Na-Acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |