2QT0
Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside and an ATP analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-03-01 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 97.025, 97.025, 44.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.920 |
Rwork | 0.209 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p0e |
RMSD bond length | 0.017 |
RMSD bond angle | 1.416 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.990 |
High resolution limit [Å] | 1.920 | 4.130 | 1.920 |
Rmerge | 0.086 | 0.033 | 0.999 |
Number of reflections | 31229 | ||
<I/σ(I)> | 10.7 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 6.5 | 6.8 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 291 | 35% PEG 2000 MME, 0.1M Tris-HCl. The protein solution (40mg/mL) contained 0.01M Nicotinamide riboside, 0.01M AMPPNP and 0.02M Magnesium chloride, pH 8.0, VAPOR DIFFUSION, temperature 291K |