5ZVE
The crystal structure of NSun6 from Pyrococcus horikoshii with SAH
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 | 52.982, 52.176, 83.804 |
Unit cell angles | 80.63, 80.58, 67.90 |
Refinement procedure
Resolution | 41.082 - 2.178 |
R-factor | 0.1914 |
Rwork | 0.189 |
R-free | 0.23610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wwq |
RMSD bond length | 0.004 |
RMSD bond angle | 0.901 |
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 | 2.220 |
High resolution limit [Å] | 2.178 | 5.910 | 2.180 |
Rmerge | 0.133 | 0.109 | 0.421 |
Rmeas | 0.144 | 0.117 | 0.468 |
Rpim | 0.054 | 0.042 | 0.199 |
Number of reflections | 39682 | 2073 | 1543 |
<I/σ(I)> | 3.8 | ||
Completeness [%] | 93.4 | 97.9 | 73.8 |
Redundancy | 6.5 | 7.3 | 4.6 |
CC(1/2) | 0.978 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | magnesium acetate tetrahydrate, Sodium sodium cacodylate trihydrate , polyethylene glycol 8,000 |