1SG3
Structure of allantoicase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-07-04 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.96 |
Spacegroup name | P 63 |
Unit cell lengths | 104.987, 104.987, 118.146 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 * - 2.600 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.27000 * |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 25.200 * |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | SHELXS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.220 * | 2.660 |
High resolution limit [Å] | 2.570 * | 2.600 |
Rmerge | 0.133 * | 0.733 * |
Total number of observations | 277627 * | |
Number of reflections | 21185 * | |
Completeness [%] | 99.6 * | 96.7 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.5 | 18 * | 7% PEG 8000, 12% PEG 400, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8 (mg/ml) | |
2 | 1 | reservoir | PEG8000 | 7 (%) | |
3 | 1 | reservoir | PEG400 | 12 (%) | |
4 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |