3RZZ
Structure of Hydroxyethylphoshphonate Dioxygenase Y98F Mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 84.747, 94.964, 101.396 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.000 - 2.200 |
Rwork | 0.207 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3g7d |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 18990 | |
<I/σ(I)> | 28.9 | 3 |
Completeness [%] | 88.9 | 62.2 |
Redundancy | 5.9 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 281 | 1 M sodium acetate, 0.1 M HEPES, 0.05 M cadmium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K |