1CWI
HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-(N-METHYL)-D-ALANINE CYCLOSPORIN
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1993-04-01 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.380, 61.070, 72.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.900 |
| R-factor | 0.186 * |
| Structure solution method | PROTEIN STRUCTURE IS KNOWN IN THIS CELL |
| Starting model (for MR) | 1cwa |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.780 |
| Data reduction software | XENGEN |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.078 * |
| Total number of observations | 33630 * |
| Number of reflections | 11304 |
| Completeness [%] | 85.6 |
| Redundancy | 2.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | 295 * | PH 8.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 10 | 1 | drop | CypA | 0.5 (mM) | |
| 2 | 1 | reservoir | PEG8000 | 19 (%(w/v)) | |
| 3 | 1 | reservoir | DMSO | 6 (%(v/v)) | |
| 4 | 1 | reservoir | 0.04 (%(w/v)) | ||
| 5 | 1 | drop | Tris-HCl | 50 (mM) | |
| 6 | 1 | drop | PEG8000 | 9.5 (%) | |
| 7 | 1 | drop | DMSO | 3 (%) | |
| 8 | 1 | drop | 0.02 (%) | ||
| 9 | 1 | drop | CsA-analogue | 0.5 (mM) |
