1XLR
CHORISMATE LYASE WITH INHIBITOR VANILLATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 295 |
Detector technology | AREA DETECTOR |
Collection date | 2001-05-15 |
Detector | SIEMENS HI-STAR |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.270, 65.190, 72.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.980 - 1.940 |
R-factor | 0.173 |
Rwork | 0.173 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 2.200 |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.050 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.061 | 0.200 |
Number of reflections | 10973 | |
<I/σ(I)> | 12.3 | 2.9 |
Completeness [%] | 92.0 | 74 |
Redundancy | 5.1 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 25% PEG 4000, 80 mM Hepes, 5%(v/v) isopropanol, 20mM vanillate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |