1LC7
Crystal Structure of L-Threonine-O-3-phosphate Decarboxylase from S. enterica complexed with a substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Wavelength(s) | 0.9763 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.280, 103.860, 117.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 1.860 - 1.800 |
Rwork | 0.212 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1KUS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.530 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 500.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.055 | 0.219 |
Number of reflections | 38108 | |
<I/σ(I)> | 60.8 | 10.2 |
Completeness [%] | 99.6 | 99.1 |
Redundancy | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 6 | 4 * | used seeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | L-threonine phosphate | 50 (mM) | |
2 | 1 | 1 | protein | 9 (mg/ml) | |
3 | 1 | 1 | PEG2000ME | 10 (%) | |
4 | 1 | 1 | sodium potassium phosphate | 100 (mM) | |
5 | 1 | 1 | MES | 100 (mM) | pH6.0 |