5I1Y
NvPizza2-H16S58 with cobalt
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 69.453, 69.453, 187.264 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.300 - 1.950 |
| R-factor | 0.20529 |
| Rwork | 0.202 |
| R-free | 0.26207 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ww7 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.977 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.300 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.055 | 0.289 |
| Number of reflections | 19759 | |
| <I/σ(I)> | 29.4 | 3.3 |
| Completeness [%] | 96.7 | 88.4 |
| Redundancy | 9.7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | unbuffered 1.7 M ammonium sulphate, 10 mM cobalt chloride |
