3KGL
Crystal structure of procruciferin, 11S globulin from Brassica napus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-29 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 100.102, 190.412, 99.901 |
Unit cell angles | 90.00, 114.00, 90.00 |
Refinement procedure
Resolution | 49.787 - 2.981 |
R-factor | 0.1624 |
Rwork | 0.158 |
R-free | 0.25010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fxz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.233 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.110 |
High resolution limit [Å] | 2.981 | 3.000 |
Rmerge | 0.132 | 0.474 |
Number of reflections | 65757 | |
<I/σ(I)> | 14.2 | 2.81 |
Completeness [%] | 96.0 | 96.8 |
Redundancy | 6.1 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 281 | 32% ammonium sulfate, 0.1M MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 281K |