1H1T
PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE IN COMPLEX WITH Coenzyme A FROM ESCHERICHIA COLI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-03-08 |
Detector | MACSCIENCE |
Spacegroup name | I 2 3 |
Unit cell lengths | 135.426, 135.426, 135.426 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 * - 1.780 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PBD ENTRY 1B6T |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.820 |
High resolution limit [Å] | 1.780 * | 1.780 * |
Rmerge | 0.036 * | 0.257 * |
Total number of observations | 815367 * | |
Number of reflections | 39181 * | |
<I/σ(I)> | 17.8 | |
Completeness [%] | 99.0 * | 90.7 * |
Redundancy | 12.351 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8 * | Izard, T., (1999) EMBO J., 18, 2021. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 18 (mg/ml) | |
2 | 1 | drop | HEPES | 10 (mM) | |
3 | 1 | drop | dithiothreitol | 0.5 (mM) | |
4 | 1 | reservoir | ammonium sulfate | 1.1 (M) | |
5 | 1 | reservoir | 0.2 (M) | ||
6 | 1 | reservoir | sodium acetate | 100 (mM) |