8A7R
PcIDS1_I420A in complex with Mg2+ 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 | 2020-02-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.010, 78.390, 88.020 |
Unit cell angles | 90.00, 101.85, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.000 |
R-factor | 0.1887 |
Rwork | 0.187 |
R-free | 0.22950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8a6u |
RMSD bond length | 0.002 |
RMSD bond angle | 1.189 |
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 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.099 | 0.551 |
Number of reflections | 51160 | 7097 |
<I/σ(I)> | 6.9 | 2.4 |
Completeness [%] | 96.2 | 98.6 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES, 0.2 CaCl2, 30% PEG 4000 |