4NJO
crystal structure of cofactor(NAD+) bound 3-phosphoglycerate dehydrogenase in Entamoeba histolytica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 77 |
Detector technology | IMAGE PLATE |
Collection date | 2012-02-15 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 |
Unit cell lengths | 49.378, 56.857, 57.259 |
Unit cell angles | 66.71, 66.22, 77.36 |
Refinement procedure
Resolution | 52.090 - 2.220 |
R-factor | 0.20343 |
Rwork | 0.201 |
R-free | 0.24604 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.918 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.090 | 2.300 |
High resolution limit [Å] | 2.220 | 2.220 |
Number of reflections | 24702 | |
Completeness [%] | 95.6 | 90.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 25% PEG 3350, 100mM Tris pH 7.0-8.0 300mM sodium formate, 5% glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 289K |