6OX7
The complex of 1918 NS1-ED and the iSH2 domain of the human p85beta subunit of PI3K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2018-11-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.980, 94.030, 67.220 |
Unit cell angles | 90.00, 105.31, 90.00 |
Refinement procedure
Resolution | 44.650 - 2.750 |
R-factor | 0.2296 |
Rwork | 0.228 |
R-free | 0.26250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l4q |
Data reduction software | MOSFLM |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.830 | 64.830 | 2.900 |
High resolution limit [Å] | 2.750 | 8.700 | 2.750 |
Rmerge | 0.163 | 0.121 | 0.623 |
Rmeas | 0.192 | 0.145 | 0.731 |
Rpim | 0.099 | 0.077 | 0.379 |
Total number of observations | 70864 | 2182 | 10222 |
Number of reflections | 19133 | 623 | 2774 |
<I/σ(I)> | 6.7 | 12.8 | 2.1 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 3.7 | 3.5 | 3.7 |
CC(1/2) | 0.972 | 0.961 | 0.761 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 20 mM sodium phosphate, 80 mM NaCl |