1GMK
GRAMICIDIN/KSCN COMPLEX
Experimental procedure
| Source type | SEALED TUBE |
| Source details | ENRAF-NONIUS |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1991-10-11 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.060, 51.800, 31.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.500 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | GRAMICIDIN/CSCL COMPLEX THEN GRAMICIDIN/CSSCN COMPLEX BOTH WITHOUT IONS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 28.147 * |
| Data reduction software | CADRAL |
| Data scaling software | SHELX76 |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.033 |
| Number of reflections | 5476 |
| Completeness [%] | 73.3 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | CRYSTALLIZED IN METHANOL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 25 (mg/ml) | |
| 2 | 1 | 1 | methanol | ||
| 3 | 1 | 1 | potassium thiocyanate | 73.3 (mM) |
