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) |