3IN9
Crystal structure of heparin lyase I complexed with disaccharide heparin
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 | 2007-12-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.789, 63.531, 65.204 |
| Unit cell angles | 90.00, 115.47, 90.00 |
Refinement procedure
| Resolution | 31.770 - 2.000 |
| Rwork | 0.183 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3imn |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.504 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.066 | 0.061 | 0.102 |
| Number of reflections | 28121 | ||
| <I/σ(I)> | 19.2 | ||
| Completeness [%] | 99.0 | 98.9 | 95.7 |
| Redundancy | 3.8 | 3.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% glycerol, 20% PEG 1500, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
