1M0Q
Structure of Dialkylglycine Decarboxylase Complexed with S-1-aminoethanephosphonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-02-28 |
Detector | MARRESEARCH |
Wavelength(s) | 0.98 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 150.810, 150.810, 85.050 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.194 |
Rwork | 0.191 |
R-free | 0.24000 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1dka |
RMSD bond length | 0.026 |
RMSD bond angle | 1.980 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 * | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.059 | 0.407 |
Number of reflections | 38642 | |
<I/σ(I)> | 13.4 | 4.2 |
Completeness [%] | 99.2 | 99.2 |
Redundancy | 6.57 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 * | 15% PEG 4000, 0.20 - 0.40 M SODIUM PYRUVATE, 0.015 M MES-KOH (pH 6.4) |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 30 (mg/ml) | |
2 | 1 | drop | potassium phosphate | 5 (mM) | pH7.5 |
3 | 1 | drop | PLP | 0.020 (mM) | |
4 | 1 | drop | sodium azide | 0.2 (%(w/v)) | |
5 | 1 | reservoir | PEG4000 | 15 (%(w/v)) | |
6 | 1 | reservoir | MES- KOH | 15 (mM) | pH6.4 |
7 | 1 | reservoir | sodium pyruvate | 75-200 (mM) | |
8 | 1 | reservoir | PLP | 0.020 (mM) |