1PYU
Processed Aspartate Decarboxylase Mutant with Ser25 mutated to Cys
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-03-10 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 70.787, 70.787, 217.121 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.17379 |
Rwork | 0.173 |
R-free | 0.19500 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aw8 |
RMSD bond length | 0.016 * |
RMSD bond angle | 1.560 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.920 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.082 * | 0.323 * |
Number of reflections | 26469 * | |
<I/σ(I)> | 28.3 | 3.011 |
Completeness [%] | 98.9 * | 88.3 |
Redundancy | 29.8 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 19 * | 0.1M citric acid, 1.6M ammonium sulphate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5-9 (mg/ml) | |
2 | 1 | reservoir | ammonium sulfate | 1.4-1.6 (M) | |
3 | 1 | reservoir | citric acid | 0.1 (M) | pH4.0 |