3IMN
Crystal structure of heparin lyase I from Bacteroides thetaiotaomicron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-18 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.921, 68.712, 61.306 |
Unit cell angles | 90.00, 105.90, 90.00 |
Refinement procedure
Resolution | 36.060 - 1.810 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.21600 |
Structure solution method | MAD |
RMSD bond length | 0.027 |
RMSD bond angle | 2.087 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.930 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.057 | 0.043 | 0.178 |
Total number of observations | 177991 | ||
Number of reflections | 40417 | ||
<I/σ(I)> | 21.3 | ||
Completeness [%] | 92.2 | 99.1 | 55.3 |
Redundancy | 4.4 | 5 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1M Na citrate pH 5.5, 2.0M Ammonium sulfate, vapor diffusion, hanging drop, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1M Na citrate pH 5.5, 2.0M Ammonium sulfate, vapor diffusion, hanging drop, temperature 293K |