4NFY
Crystal Structure of 3-phosphoglycerate Dehydrogenase from Entamoeba histolytica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 77.15 |
Detector technology | CCD |
Collection date | 2011-09-20 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97 |
Spacegroup name | P 41 |
Unit cell lengths | 85.906, 85.906, 84.492 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.910 - 2.450 |
R-factor | 0.19728 |
Rwork | 0.194 |
R-free | 0.25895 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wwk |
RMSD bond length | 0.007 |
RMSD bond angle | 1.176 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.910 | 2.490 |
High resolution limit [Å] | 2.450 | 2.450 |
Number of reflections | 22458 | |
<I/σ(I)> | 36.4 | 7.4 |
Redundancy | 4.2 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 20% PEG, 100mM Tris-cl, 350mM sodium formate, 5% Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |