1MVE
Crystal structure of a natural circularly-permutated jellyroll protein: 1,3-1,4-beta-D-glucanase from Fibrobacter succinogenes
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-18B |
Synchrotron site | Photon Factory |
Beamline | BL-18B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-12-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9795, 0.9793, 0.9600 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.850, 73.350, 73.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 * - 1.700 |
R-factor | 0.21 |
Rwork | 0.192 |
R-free | 0.23800 * |
Structure solution method | MAD |
RMSD bond length | 0.011 * |
RMSD bond angle | 1.630 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 * | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.067 * | 0.308 * |
Total number of observations | 108344 * | |
Number of reflections | 24553 | |
<I/σ(I)> | 22.8 | 3 |
Completeness [%] | 98.0 * | 92.8 |
Redundancy | 4.4 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 293 | PEG4000, sodium acetate, Tris-HCL, calcium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 10 (mM) | pH7.5 |
3 | 1 | reservoir | 2 (mM) | ||
4 | 1 | reservoir | 0.1 (M) | ||
5 | 1 | reservoir | Tris-HCl | 0.05 (M) | pH9.0 |
6 | 1 | reservoir | PEG4000 | 30 (%(w/v)) |