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 |
