1B0C
EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZED FROM THIOCYANATE, CHLORIDE OR SULFATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 297 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-03-15 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 95.470, 95.470, 159.690 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.000 - 2.800 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6pti |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | Agrovata |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 2.870 |
| High resolution limit [Å] | 2.770 * | 2.770 * |
| Rmerge | 0.038 * | 0.161 * |
| Total number of observations | 107368 * | |
| Number of reflections | 11127 | |
| <I/σ(I)> | 17.2 | 5.4 |
| Completeness [%] | 89.3 * | 55.5 * |
| Redundancy | 9.6 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.5 | 18 * | ACETATE BUFFER PH=4.5 BPTI 60 TO 100 MG/ML NACL 1.6 TO 2 M |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium acetate | 50 (mM) | |
| 2 | 1 | drop | inhibitor | 60-100 (mg/ml) | |
| 3 | 1 | drop | 1.6-2 (M) |
