6FFW
Phosphotriesterase PTE_A53_5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-05-29 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.541 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.780, 81.510, 70.690 |
Unit cell angles | 90.00, 94.92, 90.00 |
Refinement procedure
Resolution | 23.477 - 1.495 |
R-factor | 0.1625 |
Rwork | 0.161 |
R-free | 0.18520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hzy |
RMSD bond length | 0.005 |
RMSD bond angle | 0.911 |
Data reduction software | HKL-3000 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1-2575_1692: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.480 | 1.550 |
High resolution limit [Å] | 1.490 | 1.490 |
Number of reflections | 99608 | 9805 |
<I/σ(I)> | 16.7 | 5.9 |
Completeness [%] | 99.6 | 98.4 |
Redundancy | 4.3 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 20% PEG 8000 0.1M Tris pH=7.5 |