6U28
Crystal structure of 1918 NS1-ED W187A in complex with the p85-beta-iSH2 domain of human 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 | 2019-08-08 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.190, 92.390, 66.940 |
Unit cell angles | 90.00, 105.17, 90.00 |
Refinement procedure
Resolution | 34.145 - 2.950 |
R-factor | 0.2233 |
Rwork | 0.223 |
R-free | 0.23950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ox7 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.21) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.610 | 64.610 | 3.130 |
High resolution limit [Å] | 2.950 | 8.850 | 2.950 |
Rmerge | 0.179 | 0.125 | 0.938 |
Rmeas | 0.211 | 0.149 | 1.110 |
Rpim | 0.111 | 0.080 | 0.587 |
Total number of observations | 53699 | 1930 | 8646 |
Number of reflections | 15268 | 592 | 2455 |
<I/σ(I)> | 6.1 | 13 | 1.3 |
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 3.5 | 3.3 | 3.5 |
CC(1/2) | 0.959 | 0.945 | 0.598 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.1 | 277 | tris 20 mM, trehalose 0.7 M, sodium chloride 80 mM |