1PBI
CRYSTAL STRUCTURE OF A BOWMAN-BIRK INHIBITOR FROM PEA SEEDS
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE D41A |
| Synchrotron site | LURE |
| Beamline | D41A |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 52.680, 52.680, 135.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.700 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | X-RAY COORDINATES OF BOWMAN-BIRK INHIBITOR FROM SOYBEAN |
| RMSD bond length | 0.006 |
| RMSD bond angle | 29.500 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEIT |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.900 | 2.690 |
| High resolution limit [Å] | 2.620 | 2.600 |
| Rmerge | 0.054 * | 0.188 * |
| Total number of observations | 22543 * | |
| Number of reflections | 5770 | |
| <I/σ(I)> | 3.4 | |
| Completeness [%] | 95.2 | 59.7 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 18 * | seeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | PEG400 | 0.64 (%(v/v)) | |
| 3 | 1 | drop | calcium chloride | 6x10-5 (M) | |
| 4 | 1 | drop | Na-HEPES | 0.032 (M) | |
| 5 | 1 | reservoir | PEG400 | 2 (%) | |
| 6 | 1 | reservoir | ammonium sulfate | 1.4 (M) | |
| 7 | 1 | reservoir | Na-HEPES | 0.1 (M) |
