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 |