5ZVG
The crystal structure of NSun6 from Pyrococcus horikoshii with SAM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9777 |
Spacegroup name | P 1 |
Unit cell lengths | 52.112, 52.983, 83.801 |
Unit cell angles | 80.80, 80.75, 67.84 |
Refinement procedure
Resolution | 48.781 - 2.500 |
R-factor | 0.1819 |
Rwork | 0.179 |
R-free | 0.23610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wwq |
RMSD bond length | 0.005 |
RMSD bond angle | 0.925 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.109 | 0.076 | 0.334 |
Rmeas | 0.118 | 0.082 | 0.370 |
Rpim | 0.044 | 0.031 | 0.155 |
Number of reflections | 26076 | 1398 | 1019 |
<I/σ(I)> | 6.9 | ||
Completeness [%] | 91.9 | 98 | 70.7 |
Redundancy | 6.6 | 7.2 | 4.9 |
CC(1/2) | 0.992 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 286 | magnesium acetate, cacodylate trihydrate, PEG8000 |