4DA1
Crystal structure of branched-chain alpha-ketoacid dehydrogenase phosphatase with Mg (II) ions at the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97934 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 125.276, 125.276, 61.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.942 - 2.383 |
R-factor | 0.1783 |
Rwork | 0.177 |
R-free | 0.20490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iq1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.070 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.420 |
High resolution limit [Å] | 2.380 | 2.380 |
Number of reflections | 22452 | |
Completeness [%] | 99.7 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris, 19% PEG3350, 0.2 M Magnesium chloride, 20 mM beta-mercaptoethanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |