2DTM
Thermodynamic and structural analyses of hydrolytic mechanism by catalytic antibodies
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-12-15 |
Detector | MAC Science DIP-2030 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.263, 80.762, 89.294 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.980 - 2.250 |
R-factor | 0.223 |
Rwork | 0.223 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dqt |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.000 |
High resolution limit [Å] | 2.250 |
Rmerge | 0.046 |
Number of reflections | 22833 |
Completeness [%] | 95.6 |
Redundancy | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 293 | 50mM Tris-HCl(pH 8.7), 16%(w/v) PEG4000, 0.1mM EDTA, VAPOR DIFFUSION, HANGING DROP, temperature 293K |