6YB8
Human octameric PAICS in complex with CAIR and SAICAR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 60.878, 153.922, 223.565 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.150 - 2.360 |
R-factor | 0.1802 |
Rwork | 0.177 |
R-free | 0.23540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h31 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.640 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.150 | 47.150 | 2.510 |
High resolution limit [Å] | 2.360 | 7.020 | 2.360 |
Rmerge | 0.256 | 0.082 | 1.152 |
Rmeas | 0.266 | 0.085 | 1.195 |
Total number of observations | 601806 | ||
Number of reflections | 43523 | 1811 | 6857 |
<I/σ(I)> | 8.39 | 26.47 | 1.81 |
Completeness [%] | 99.8 | 99.5 | 99.2 |
Redundancy | 13.827 | 13.262 | 14.312 |
CC(1/2) | 0.995 | 0.998 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 16 mg/ml PAICS with 5 mM SAICAR; 0.1 M MES/imidazole pH 6.5, 10% w/v PEG 8000, 20% v/v ethylene glycol, 0.02 M sodium L-glutamate, 0.02 M DL-alanine, 0.02 M glycine, 0.02 M DL-lysine HCl, and 0.02 M DL-serine |