1J4H
crystal structure analysis of the FKBP12 complexed with 000107 small molecule
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2001-04-03 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.020, 30.380, 42.380 |
Unit cell angles | 90.00, 110.74, 90.00 |
Refinement procedure
Resolution | 50.000 * - 1.800 |
Rwork | 0.203 |
R-free | 0.26000 * |
RMSD bond length | 0.019 |
RMSD bond angle | 1.980 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.0) |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 * | 1.850 |
High resolution limit [Å] | 1.800 | 2.000 * |
Rmerge | 0.052 | 0.291 |
Total number of observations | 32811 * | |
Number of reflections | 9478 * | 773 * |
<I/σ(I)> | 17.2 | |
Completeness [%] | 99.6 | 98.1 |
Redundancy | 3.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.5 | 18 * | PEG10000, HEPES, pH 6.5, EVAPORATION, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | cacodylic acid sodium | 10 (mM) | pH6.5 |
2 | 1 | drop | protein | 20 (mg/ml) | |
3 | 1 | reservoir | PEG10000 | 15-27 (%) | |
4 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |