5ZST
NifS from Hydrogenimonas thermopile in a persulfurated form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-24 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1 |
Spacegroup name | P 65 |
Unit cell lengths | 136.940, 136.940, 98.820 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.610 - 3.100 |
R-factor | 0.2036 |
Rwork | 0.202 |
R-free | 0.23580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eg5 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.610 | 45.610 | 3.200 |
High resolution limit [Å] | 3.100 | 10.000 | 3.100 |
Rmerge | 0.185 | 0.031 | 0.975 |
Rmeas | 0.204 | 0.034 | 1.070 |
Total number of observations | 217677 | ||
Number of reflections | 37536 | 1110 | 3396 |
<I/σ(I)> | 11.49 | 45.33 | 2.05 |
Completeness [%] | 99.9 | 99.2 | 99.8 |
Redundancy | 5.799 | 5.714 | 5.871 |
CC(1/2) | 0.989 | 0.999 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2M Magnesium chloride, 0.1M Tris-HCl, 20% (w/v) PEG 8000, 5mM L-Cysteine |