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 |