1SFI
High resolution structure of a potent, cyclic protease inhibitor from sunflower seeds
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX7.2 |
| Synchrotron site | SRS |
| Beamline | PX7.2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.610, 64.430, 70.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.650 |
| Rwork | 0.175 |
| R-free | 0.20300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tld |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.460 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.780 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.067 | 0.223 |
| Total number of observations | 82087 * | |
| Number of reflections | 32839 | |
| <I/σ(I)> | 14 | 3.8 |
| Completeness [%] | 96.7 | 91 |
| Redundancy | 2.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 | pH 8.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | 0.3 (M) | |
| 3 | 1 | drop | calcium chloride | 6 (mM) | |
| 4 | 1 | drop | Tris-HCl | 0.1 (M) | |
| 5 | 1 | drop | benzamidine | 60 (mM) | |
| 6 | 1 | drop | DMF | ||
| 7 | 1 | reservoir | ammonium sulfate | 1.6-2.1 (M) | |
| 8 | 1 | reservoir | Tris-HCl | 0.05 (M) |
