1O4Z
THE THREE-DIMENSIONAL STRUCTURE OF BETA-AGARASE B FROM ZOBELLIA GALACTANIVORANS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-01 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.448, 105.350, 97.369 |
Unit cell angles | 90.00, 94.13, 90.00 |
Refinement procedure
Resolution | 24.800 * - 2.300 |
R-factor | 0.16862 |
Rwork | 0.166 |
R-free | 0.22400 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | BETA-AGARASE A |
RMSD bond length | 0.031 * |
RMSD bond angle | 2.400 * |
Data reduction software | DENZO |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.800 * | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.106 * | 0.339 * |
Total number of observations | 428617 * | |
Number of reflections | 64783 * | |
<I/σ(I)> | 5.4 | 1.6 |
Completeness [%] | 99.9 | 99.9 * |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20.5 * | 58% methyl-pentane-diol 20 mM calcium chloride 100 mM Hepes , pH 7.5, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 2.5 (mg/ml) | |
2 | 1 | drop | Tris | 50 (%(w/v)) | pH7.5 |
3 | 1 | drop | 25 (mM) | ||
4 | 1 | reservoir | MPD | 58 (%) | |
5 | 1 | reservoir | 20 (mM) | ||
6 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |