1D7I
FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 297 |
| Detector technology | AREA DETECTOR |
| Collection date | 1995-01-01 |
| Detector | ENRAF-NONIUS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.800, 36.450, 56.000 |
| Unit cell angles | 90.00, 96.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 26.830 * |
| Data reduction software | MADNESS |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 100.000 |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.063 |
| Number of reflections | 14586 |
| Completeness [%] | 85.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 297 | CRYSTALLIZATION CONDITIONS: 56 % SAT. AMMONIUM SULFATE 5 % METHYL SULFINYL- METHYL SULFOXIDE, 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.6 (mM) | |
| 2 | 1 | drop | DMSO | 340 (mM) | |
| 3 | 1 | drop | Tris-HCl | 50 (mM) | |
| 4 | 1 | drop | ammonium sulfate | 28 (%(w/v)) | |
| 5 | 1 | reservoir | ammonium sulfate | ||
| 6 | 1 | reservoir | DMSO | ||
| 7 | 1 | reservoir | Tris-HCl | 1 (M) |
