6JVW
Crystal structure of maleylpyruvate hydrolase from Sphingobium sp. SYK-6 in complex with manganese (II) ion and pyruvate
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 | 2018-06-20 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97935 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.409, 74.181, 68.727 |
Unit cell angles | 90.00, 119.07, 90.00 |
Refinement procedure
Resolution | 31.580 - 2.250 |
R-factor | 0.1559 |
Rwork | 0.153 |
R-free | 0.20280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jvv |
RMSD bond length | 0.009 |
RMSD bond angle | 1.619 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.064 | 0.233 |
Rmeas | 0.077 | 0.286 |
Rpim | 0.041 | 0.163 |
Total number of observations | 84215 | |
Number of reflections | 27826 | 1358 |
<I/σ(I)> | 15.8 | |
Completeness [%] | 97.5 | 95.9 |
Redundancy | 3 | 2.6 |
CC(1/2) | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 273 | PEG 3350, Lithium sulfate |