1TY9
X-RAY CRYSTAL STRUCTURE OF PHZG FROM PSEUDOMONAS FLUORESCENS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2004-02-15 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.280, 63.300, 132.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.19533 |
Rwork | 0.193 |
R-free | 0.24610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t9m |
RMSD bond length | 0.021 |
RMSD bond angle | 1.819 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.800 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.065 | 0.347 |
Number of reflections | 45573 | |
<I/σ(I)> | 9.6 | 3.3 |
Completeness [%] | 98.7 | 90.1 |
Redundancy | 3.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 21% PEG 4000, 0.2M ammonium sulfate, 0.1M sodium citrate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |