1K4K
Crystal structure of E. coli Nicotinic acid mononucleotide adenylyltransferase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-01-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 58.435, 66.528, 72.855 |
Unit cell angles | 72.68, 88.77, 69.55 |
Refinement procedure
Resolution | 40.000 - 2.000 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.26200 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.700 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.045 | 0.250 |
Total number of observations | 169804 * | |
Number of reflections | 62463 | |
<I/σ(I)> | 20.9 | 4 |
Completeness [%] | 96.4 | 81.9 |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 * | 293 | Na Citrate, sodium chloride, Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 20K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 * | 293 | Na Citrate, sodium chloride, Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 20K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | HEPES | 50 (mM) | pH7.2 |
3 | 1 | drop | 150 (mM) | ||
4 | 1 | drop | dithiothreitol | 1 (mM) | |
5 | 1 | reservoir | Tris | 0.1 (M) | pH7.0 |
6 | 1 | reservoir | 0.2 (M) | ||
7 | 1 | reservoir | sodium citrate | 0.8 (M) |