5CG0
Crystal structure of Spodoptera frugiperda Beta-glycosidase
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 | 2014-02-24 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54187 |
Spacegroup name | P 1 |
Unit cell lengths | 53.825, 64.994, 257.189 |
Unit cell angles | 93.16, 92.04, 112.18 |
Refinement procedure
Resolution | 49.750 - 2.090 |
R-factor | 0.1952 |
Rwork | 0.192 |
R-free | 0.24980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vif |
RMSD bond length | 0.008 |
RMSD bond angle | 1.208 |
Data reduction software | HKL-2000 |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.000 | 60.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.080 | 0.052 | 0.539 |
Rmeas | 0.095 | 0.061 | 0.650 |
Rpim | 0.050 | 0.031 | 0.356 |
Total number of observations | 566584 | ||
Number of reflections | 173155 | ||
<I/σ(I)> | 12.1 | ||
Completeness [%] | 91.4 | 99 | 90 |
Redundancy | 3.3 | 3.9 | 3.2 |
CC(1/2) | 0.996 | 0.709 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 291 | 100 mM Bis-Tris-HCl, 100 mM NaCL, 22% (w/v) PEG 3350 |