6ZCW
Crystal structure of lanthanide-dependent alcohol dehydrogenase PedH from Pseudomonas putida KT2440
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97626 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 105.280, 105.280, 187.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.080 - 1.650 |
Rwork | 0.156 |
R-free | 0.17170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1flg |
RMSD bond length | 0.006 |
RMSD bond angle | 0.883 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.810 | 1.709 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmeas | 0.212 | |
Rpim | 0.044 | |
Number of reflections | 126727 | 12456 |
<I/σ(I)> | 14.27 | |
Completeness [%] | 100.0 | |
Redundancy | 26.7 | |
CC(1/2) | 0.999 | 0.525 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293.15 | 0.25 mM PedH with equimolar concentration of PQQ and metal of interest in 0.1 M sodium acetate pH 4.6 and 30 % (w/v) PEG 2000 MME |