3IKW
Structure of Heparinase I from Bacteroides thetaiotaomicron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-11-03 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 76.263, 110.494, 44.158 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.720 - 1.300 |
R-factor | 0.188 |
Rwork | 0.187 |
R-free | 0.21000 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.321 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.350 |
High resolution limit [Å] | 1.300 | 2.800 | 1.300 |
Rmerge | 0.086 | 0.081 | 0.599 |
Number of reflections | 91220 | ||
<I/σ(I)> | 14.3 | ||
Completeness [%] | 99.0 | 99.9 | 94 |
Redundancy | 4.9 | 9.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 22.5% PEG 3350, 0.1 M Tris-HCl, 0.8 mM CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |