3INA
Crystal structure of heparin lyase I H151A mutant complexed with a dodecasaccharide 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 | 2008-04-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.185, 63.433, 65.290 |
| Unit cell angles | 90.00, 112.39, 90.00 |
Refinement procedure
| Resolution | 36.820 - 1.900 |
| Rwork | 0.194 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3imn |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.547 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.067 | 0.047 | 0.234 |
| Number of reflections | 33588 | ||
| <I/σ(I)> | 18.6 | ||
| Completeness [%] | 99.7 | 98.9 | 98.4 |
| Redundancy | 7.3 | 7.1 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 10% glycerol, 8% PEG 1500, Sarcosine, vapor diffusion, hanging drop, temperature 293K, pH 5.5, VAPOR DIFFUSION, HANGING DROP |
