1IFG
CRYSTAL STRUCTURE OF A MONOMERIC FORM OF GENERAL PROTEASE INHIBITOR, ECOTIN IN ABSENCE OF A PROTEASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 97.235, 97.235, 37.233 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.000 |
| R-factor | 0.248 |
| Rwork | 0.248 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ECY with last ten residues deleted |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 2.000 | 1.980 |
| Rmerge | 0.093 | 0.472 |
| Total number of observations | 200193 * | |
| Number of reflections | 11496 | |
| <I/σ(I)> | 19 | 4.7 |
| Completeness [%] | 95.8 | 99.9 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 4000, glycerol, Tris, Sodium Acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12-15 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 28-30 (%) | |
| 3 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 4 | 1 | reservoir | glycerol | 15 (%(v/v)) | |
| 5 | 1 | reservoir | Tris | 0.1 (M) |
