1FNI
CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH 0.01% POLYDOCANOL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-19 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.804, 53.946, 47.201 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.640 * |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.23400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qqu |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 2.400 * |
| Data reduction software | AUTOMAR |
| Data scaling software | XDS |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.420 | 1.800 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.065 | 0.415 |
| Total number of observations | 88932 * | |
| Number of reflections | 22228 | 4475 * |
| <I/σ(I)> | 20.08 | 1.76 |
| Completeness [%] | 82.7 | 56.8 |
| Redundancy | 4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 * | pH 6.70, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 0.05 (M) | |
| 3 | 1 | drop | 20 (mM) | ||
| 4 | 1 | drop | polydocanol | ||
| 5 | 1 | reservoir | ammonium sulfate | 1.5 (M) | |
| 6 | 1 | reservoir | ammonium sulfate | 0.7 (M) |
