2E5D
Crystal structure of Human NMPRTase complexed with nicotinamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-28 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.332, 106.227, 82.475 |
| Unit cell angles | 90.00, 96.27, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.000 |
| R-factor | 0.18029 |
| Rwork | 0.179 |
| R-free | 0.20905 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h3b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.939 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.130 | 0.301 |
| Number of reflections | 71647 | |
| <I/σ(I)> | 13.4 | 2.78 |
| Completeness [%] | 98.7 | 95.8 |
| Redundancy | 1.93 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 38-40% pentaerythritol propoxylate (5/4 PO/OH), 50mM Tris-HCl, 200mM KCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
