2E5B
Crystal structure of Human NMPRTase as free-form
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 | 2006-06-02 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.564, 106.400, 82.781 |
| Unit cell angles | 90.00, 96.50, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.000 |
| R-factor | 0.18514 |
| Rwork | 0.183 |
| R-free | 0.21851 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h3b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.933 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.078 | 0.377 |
| Number of reflections | 70989 | |
| <I/σ(I)> | 15.3 | 2.34 |
| Completeness [%] | 97.2 | 93.2 |
| Redundancy | 1.9 | 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 |
