6JWK
Crystal structure of maleylpyruvate isomerase from Pseudomonas aeruginosa PAO1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-05-03 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 83.022, 83.022, 184.725 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.780 - 1.860 |
R-factor | 0.1947 |
Rwork | 0.193 |
R-free | 0.22440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fw1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.785 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.890 |
High resolution limit [Å] | 1.860 | 5.050 | 1.860 |
Rmerge | 0.068 | 0.049 | 0.305 |
Rmeas | 0.070 | 0.050 | 0.330 |
Rpim | 0.015 | 0.010 | 0.119 |
Total number of observations | 824757 | ||
Number of reflections | 53417 | 2991 | 2498 |
<I/σ(I)> | 15.6 | ||
Completeness [%] | 96.9 | 97.7 | 92.1 |
Redundancy | 15.4 | 22.9 | 6 |
CC(1/2) | 0.999 | 0.596 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, Lithium sulfate |