4GZI
Active-site mutant of potato endo-1,3-beta-glucanase in complex with laminaratriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-07-02 |
Detector | MAR555 FLAT PANEL |
Wavelength(s) | 0.81620 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.895, 49.273, 57.075 |
Unit cell angles | 90.00, 98.38, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.680 |
R-factor | 0.1375 |
Rwork | 0.136 |
R-free | 0.17130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ur7 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.567 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.069 | 0.264 |
Number of reflections | 34231 | |
<I/σ(I)> | 23.2 | 5.1 |
Completeness [%] | 99.0 | 92.7 |
Redundancy | 6.2 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 292 | 0.1 M sodium citrate, 0.2 M ammonium acetate, 24% PEG 8000, 0.2 mM laminarahexose, streak seeding, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |