2E5C
Crystal structure of Human NMPRTase complexed with 5'-phosphoribosyl-1'-pyrophosphate
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 | 60.230, 106.746, 82.613 |
| Unit cell angles | 90.00, 96.24, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.200 |
| R-factor | 0.17659 |
| Rwork | 0.174 |
| R-free | 0.22122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h3b |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.007 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.160 | 0.318 |
| Number of reflections | 56429 | |
| <I/σ(I)> | 14.3 | 2.73 |
| Completeness [%] | 99.7 | 98.6 |
| Redundancy | 1.92 | 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 |
