3G3R
Crystal structure of a eukaryotic polyphosphate polymerase in complex with AppNHp-Mn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.970 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.260, 100.970, 102.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.907 - 2.000 |
| R-factor | 0.2137 |
| Rwork | 0.212 |
| R-free | 0.25260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g3q |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 46804 | |
| <I/σ(I)> | 16.5 | 3.1 |
| Completeness [%] | 96.4 | 96.9 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 15% PEG 3350, 0.2 M (NH4)2SO4, 0.1 M Bis-Tris, 10% Jeffamine M-600, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
