1Q54
STRUCTURE AND MECHANISM OF ACTION OF ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE: COMPLEX WITH THE BROMOHYDRINE OF IPP
Replaces: 1N2UExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-10-01 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.830, 71.350, 91.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.930 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.25740 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hzt |
RMSD bond length | 0.050 |
RMSD bond angle | 0.049 |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.040 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.052 | 0.128 |
Number of reflections | 26583 | |
<I/σ(I)> | 6.2 | 4.7 |
Completeness [%] | 95.1 | 95 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 5.5 | 297 | MnCl2, PEG2000, Ammonium Sulfate, pH 5.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 6 (mg/ml) | |
2 | 1 | reservoir | PEG2000 | 16 (%) | |
3 | 1 | reservoir | ammonium sulfate | 100 (mM) | |
4 | 1 | reservoir | 10 (mM) | pH5.5 |