7E7L
The crystal structure of arylacetate decarboxylase from Olsenella scatoligenes.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 85.946, 225.548, 234.679 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.591 - 3.530 |
R-factor | 0.2946 |
Rwork | 0.290 |
R-free | 0.35840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fau |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3247) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.590 |
High resolution limit [Å] | 3.498 | 9.560 | 3.530 |
Rmerge | 0.221 | 0.057 | 0.786 |
Rmeas | 0.239 | 0.063 | 0.848 |
Rpim | 0.092 | 0.025 | 0.318 |
Number of reflections | 28962 | 1555 | 1464 |
<I/σ(I)> | 2.4 | ||
Completeness [%] | 99.9 | 98.9 | 100 |
Redundancy | 6.6 | 6.2 | 7 |
CC(1/2) | 0.997 | 0.785 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291.15 | 0.1M MES pH 6.0, 0.2M Sodium chloride, 20% w/v PEG 2000 MME |