6XMY
Crystal Structure of 4-hydroxythreonine-4-phosphate dehydrogenase from Legionella pneumophila in complex with NAD
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 | 2020-02-13 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 153.350, 36.770, 56.620 |
Unit cell angles | 90.00, 103.07, 90.00 |
Refinement procedure
Resolution | 40.230 - 1.400 |
R-factor | 0.1391 |
Rwork | 0.138 |
R-free | 0.17170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r8k |
RMSD bond length | 0.005 |
RMSD bond angle | 0.910 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.440 |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.086 | 0.048 | 0.499 |
Rmeas | 0.099 | 0.057 | 0.592 |
Number of reflections | 59918 | 721 | 4166 |
<I/σ(I)> | 13.18 | 26.47 | 3.04 |
Completeness [%] | 98.1 | 96.5 | 92.6 |
Redundancy | 4.051 | 3.548 | 3.403 |
CC(1/2) | 0.997 | 0.994 | 0.842 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 287 | LepnA.00116.a.B1.PS38420 [Barcode: 314605h9, PuckID: gpx5-5, Cryo: 15% EG, Concentration: 14.95 mg/mL] 100 mM Bis-Tris/ Hydrochloric acid pH 5.5, 200 mM Lithium sulfate, 25% (w/v) PEG 3350 |