1DFI
X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD
Experimental procedure
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX7.2 |
Synchrotron site | SRS |
Beamline | PX7.2 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1995-07-22 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.000, 81.200, 79.000 |
Unit cell angles | 90.00, 92.90, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.090 |
Rwork | 0.162 |
Structure solution method | MOLECULAR REPLACEMENT AND ISOMORPHOUS REPLACEMENT |
Starting model (for MR) | BRASSICA NAPUS ENR (PDB ENTRY 1ENO) |
RMSD bond length | 0.013 |
RMSD bond angle | 1.503 |
Data reduction software | MOSFLM |
Data scaling software | Agrovata |
Phasing software | CCP4 |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.350 | 2.140 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.057 | 0.104 |
Total number of observations | 113658 * | |
Number of reflections | 51902 | |
<I/σ(I)> | 8.2 | 4.6 |
Completeness [%] | 93.1 | 71.4 |
Redundancy | 2.2 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 * | Baldock, C., (1996) Acta Crystallogr.,Sect.D, 52, 1181. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | 10 (mM) | ||
3 | 1 | drop | dithiothreitol | 1 (mM) | |
4 | 1 | drop | NAD+ | 10 (mM) | |
5 | 1 | reservoir | PEG400 | 12 (%) | |
6 | 1 | reservoir | acetate | 100 (mM) |