4WVZ
Crystal structure of artificial crosslinked thiol dioxygenase G95C variant from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2013-10-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953700 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 66.543, 66.543, 376.852 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.914 - 2.090 |
R-factor | 0.1775 |
Rwork | 0.175 |
R-free | 0.21850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tlf |
RMSD bond length | 0.006 |
RMSD bond angle | 1.002 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.8) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.050 | 47.050 | 2.150 |
High resolution limit [Å] | 2.090 | 9.110 | 2.090 |
Rmerge | 0.046 | 0.016 | 0.282 |
Rpim | 0.018 | 0.007 | 0.157 |
Total number of observations | 359980 | 4861 | 14221 |
Number of reflections | 51753 | ||
<I/σ(I)> | 28.1 | 66 | 4.2 |
Completeness [%] | 99.6 | 98.1 | 96.9 |
Redundancy | 7 | 6.2 | 3.7 |
CC(1/2) | 1.000 | 1.000 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 291 | 2.5microl Protein at 18 mg/ml (in 10mM phosphate pH 7.5) was mixed with 1microl of the mother liquor containing 140mM sodiumacetate, PEG 4000 8%, pH 5.3, the reservoir contained 500microl. Cryoprotected with 25% ethylenglycol before freezing. |