8A73
PcIDS1 in complex with Mn2+ and GPP
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 | 2019-04-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.060, 78.410, 87.300 |
Unit cell angles | 90.00, 101.67, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.600 |
R-factor | 0.1613 |
Rwork | 0.160 |
R-free | 0.19450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8a6u |
RMSD bond length | 0.003 |
RMSD bond angle | 1.186 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.052 | 0.522 |
Number of reflections | 97381 | 16625 |
<I/σ(I)> | 10.1 | 2 |
Completeness [%] | 94.7 | 97.8 |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.4 M K-Formate, 19% 3350 |