6M9S
Crystal structure of SeMet SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.510, 109.460, 365.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.090 - 2.080 |
R-factor | 0.17506 |
Rwork | 0.174 |
R-free | 0.18889 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.199 |
Data reduction software | XDS (VERSION Jan 26, 2018) |
Data scaling software | XSCALE (VERSION Jan 26, 2018) |
Phasing software | HKL2Map (Version 0.4.e-beta) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.090 | 49.089 | 2.210 |
High resolution limit [Å] | 2.080 | 6.200 | 2.080 |
Rmerge | 0.087 | 0.034 | 0.912 |
Rmeas | 0.092 | 0.036 | 0.977 |
Number of reflections | 141875 | 10813 | 47195 |
<I/σ(I)> | 16.95 | 58.41 | 2.06 |
Completeness [%] | 99.8 | 99.8 | 98.8 |
Redundancy | 10.069 | 10.33 | 7.85 |
CC(1/2) | 0.999 | 1.000 | 0.754 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris, pH 8.5, 0.1 M magnesium chloride, 15-30% w/v PEG4000 |