2XF8
Structure of the D-Erythrose-4-Phosphate Dehydrogenase from E. coli in complex with a NAD cofactor analog (3-Chloroacetyl adenine pyridine dinucleotide) and sulfate anion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 96.180, 111.660, 135.470 |
Unit cell angles | 91.30, 96.11, 88.44 |
Refinement procedure
Resolution | 48.720 - 2.950 |
R-factor | 0.23904 |
Rwork | 0.237 |
R-free | 0.27981 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x5j |
RMSD bond length | 0.013 |
RMSD bond angle | 1.691 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.700 | 3.030 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.090 | 0.490 |
Number of reflections | 112592 | |
<I/σ(I)> | 10.1 | 2 |
Completeness [%] | 95.4 | 95.8 |
Redundancy | 2.1 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 20 % (W/V) PEG 2000 MME, 100 MM TRIS-HCL BUFFER PH 8.5, 200 MM LI2SO4 |