1K0U
Inhibition of S-adenosylhomocysteine Hydrolase by "acyclic sugar" Adenosine Analogue D-eritadenine
Replaces: 1D4GExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 1999-08-20 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.870, 177.370, 112.160 |
Unit cell angles | 90.00, 107.60, 90.00 |
Refinement procedure
Resolution | 10.000 - 3.000 |
R-factor | 0.183 |
Rwork | 0.183 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1d4f |
RMSD bond length | 0.007 |
RMSD bond angle | 25.800 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.085 | 0.190 |
Total number of observations | 241990 * | |
Number of reflections | 59048 * | |
<I/σ(I)> | 6.2 | 3.1 |
Completeness [%] | 91.5 * | 82 |
Redundancy | 2.1 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 22 * | PEG 4000, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium D-eritadenine | 1 (mM) | |
2 | 1 | drop | PEG4000 | 22 (%(w/v)) | |
3 | 1 | drop | Tris-HCl | 50 (mM) | |
4 | 1 | drop | isopropyl alcohol | 10 (%(v/v)) | |
5 | 1 | drop | protein | 10 (mg/ml) |