1NI4
HUMAN PYRUVATE DEHYDROGENASE
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-02-23 |
Wavelength(s) | 0.97962, 0.97978, 0.96439 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.337, 126.889, 190.638 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.200 * - 2.100* |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.24400 |
Structure solution method | MAD, molecular replacement |
RMSD bond length | 0.006 |
RMSD bond angle | 22.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 45.200 |
High resolution limit [Å] | 2.100 * |
Rmerge | 0.165 |
Number of reflections | 175408 |
Completeness [%] | 95.8 * |
Redundancy | 2.49 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 295 * | PEG 3350, sodium thiocyanate, magnesium chloride, thiamin pyrophosphate, sodium azide, isopropanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 17 (mg/ml) | |
2 | 1 | reservoir | 200 (mM) | ||
3 | 1 | reservoir | PEG3350 | 12 (%) | |
4 | 1 | reservoir | 1,2-propanediol | 10 (%(v/v)) | |
5 | 1 | reservoir | potassium phosphate | 50 (mM) | pH8.0 |