6MDY
Crystal structure of a 2-dehydro-3-deoxyphosphooctonate aldolase from Legionella pneumophila Philadelphia 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-04-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.98782 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.520, 87.320, 160.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.554 - 2.550 |
R-factor | 0.1788 |
Rwork | 0.176 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tml |
RMSD bond length | 0.006 |
RMSD bond angle | 0.881 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.14_3219)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.554 | 45.554 | 2.620 |
High resolution limit [Å] | 2.550 | 11.400 | 2.550 |
Rmerge | 0.089 | 0.023 | 0.577 |
Rmeas | 0.098 | 0.026 | 0.631 |
Number of reflections | 33563 | 442 | 2415 |
<I/σ(I)> | 17.65 | 48.81 | 3.27 |
Completeness [%] | 99.9 | 96.9 | 100 |
Redundancy | 6.166 | 4.894 | 6.285 |
CC(1/2) | 0.999 | 0.999 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 287 | LepnA.00102.a.B1.PS38404 at 22.83 mg/mL against JCSG+ screen condition H3 25% PEG 3350, 0.1 M BisTris pH 5.5, supplemented with 15% ethylene glycol as cryo-protectant, crystal tracking ID 298231h3, unique puck ID uya9-5 |