7KSN
Crystal Structure of Sugarwin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-11 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.96863 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 227.471, 227.471, 227.471 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.185 - 1.510 |
R-factor | 0.1637 |
Rwork | 0.163 |
R-free | 0.18500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jp6 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.200 | 52.200 | 1.550 |
High resolution limit [Å] | 1.510 | 6.750 | 1.510 |
Rmerge | 0.146 | 0.076 | 3.568 |
Rmeas | 0.147 | 0.076 | 3.593 |
Rpim | 0.017 | 0.009 | 0.421 |
Total number of observations | 5976527 | 68658 | 415898 |
Number of reflections | 78971 | 1054 | 5764 |
<I/σ(I)> | 23.5 | 59.9 | 2.4 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 75.7 | 65.1 | 72.2 |
CC(1/2) | 0.999 | 0.998 | 0.791 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 291 | 0.1 M MES/imidazole pH 6.5, 10% w/v PEG 4000, 20% v/v glycerol 0.03 M of each sodium fluoride, sodium bromide and 0.3 M sodium iodide. |