3C8W
Crystal structure of acetoacetate decarboxylase (ADC) (YP_094708.1) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 1.60 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97901 |
Spacegroup name | P 63 |
Unit cell lengths | 104.100, 104.100, 189.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.683 - 1.600 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.22800 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.716 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.683 | 29.683 | 1.660 |
High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
Rmerge | 0.075 | 0.023 | 0.622 |
Number of reflections | 142031 | 26005 | 20973 |
<I/σ(I)> | 11.27 | 43.1 | 1.4 |
Completeness [%] | 80.8 | 85 | 66.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | NANODROP, 0.5M (NH4)2SO4, 1.0M Li2SO4, 0.1M Citrate pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |