1JMJ
Crystal Structure of Native Heparin Cofactor II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.4880 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.730, 80.000, 92.240 |
| Unit cell angles | 90.00, 102.04, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.350 |
| Rwork | 0.208 |
| R-free | 0.24700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | several serpins were tried best solution with native antithrombin |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.100 * | 2.580 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.140 | 0.450 |
| Total number of observations | 112978 * | |
| Number of reflections | 39178 * | |
| <I/σ(I)> | 4 | 1.5 |
| Completeness [%] | 88.0 * | 72.9 |
| Redundancy | 2.9 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 8.5 | 298 | MgCl2, Tris, PEG 4000, glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 8-10 (mg/ml) | |
| 2 | 1 | 1 | 0.06 (M) | ||
| 3 | 1 | 1 | PEG3350 | 6 (%) |
