5U7H
Ni-bound dihydroneopterin triphosphate pyrophosphohydrolase from E. coli
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2015-11-25 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.4938 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.680, 42.980, 57.050 |
| Unit cell angles | 90.00, 91.36, 90.00 |
Refinement procedure
| Resolution | 33.547 - 2.000 |
| R-factor | 0.1748 |
| Rwork | 0.168 |
| R-free | 0.24190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 201C |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.754 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.550 | |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.176 | 0.576 |
| Number of reflections | 8796 | |
| <I/σ(I)> | 11.56 | |
| Completeness [%] | 98.7 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.991 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Crystals were grown in 36% PEG 8000 and 0.05M Ammonium Sulfate. Crystals were soaked in 0.5mM dihydroneopterin and 10mM NiCl2. |
