4WOG
Crystal Structure of Frutalin from Artocarpus incisa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-10-06 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 76.170, 74.360, 118.986 |
Unit cell angles | 90.00, 96.57, 90.00 |
Refinement procedure
Resolution | 26.742 - 1.813 |
R-factor | 0.163 |
Rwork | 0.161 |
R-free | 0.20260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p8s |
RMSD bond length | 0.007 |
RMSD bond angle | 1.017 |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.020 | 27.020 | 1.850 |
High resolution limit [Å] | 1.810 | 9.060 | 1.810 |
Rmerge | 0.087 | 0.042 | 0.456 |
Rpim | 0.049 | 0.023 | 0.271 |
Total number of observations | 240259 | 1936 | 12493 |
Number of reflections | 59769 | ||
<I/σ(I)> | 10.3 | 20.4 | 2.6 |
Completeness [%] | 99.8 | 96.1 | 97 |
Redundancy | 4 | 3.9 | 3.7 |
CC(1/2) | 0.996 | 0.998 | 0.784 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 12.5% PEG 1000, 12.5% PEG 3350, 12.5% MPD, 30mM Ethylene Glycols, 100mM Bicine/Tris pH 8.5. (E12 Morpheus) |