1NUR
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC NMN/NaMN ADENYLYLTRANSFERASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-11-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.355, 79.355, 146.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.680 - 2.150 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.24700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kqn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.440 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.070 * | 0.456 * |
| Total number of observations | 161611 * | |
| Number of reflections | 26221 * | |
| <I/σ(I)> | 26 | 3.3 |
| Completeness [%] | 99.8 | 97.2 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | NA CADODALYTE, LITHIUM SULPHATE, PEG 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | reservoir | sodium cacodylate | 100 (mM) | pH6.0-7.0 |
| 3 | 1 | reservoir | 200 (mM) | ||
| 4 | 1 | reservoir | PEG400 | 20-25 (%) |
