7PEF
Crystal structure of IpgC in complex with DMSO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.8266 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 57.477, 57.477, 159.515 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.520 - 1.540 |
R-factor | 0.1624 |
Rwork | 0.161 |
R-free | 0.18400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6scb |
RMSD bond length | 0.009 |
RMSD bond angle | 1.168 |
Data reduction software | XDS (1.02) |
Data scaling software | XDS (1.02) |
Phasing software | PHASER (7.0.047) |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.620 |
High resolution limit [Å] | 1.540 | 1.540 |
Number of reflections | 46180 | 7299 |
<I/σ(I)> | 19.9 | 2.2 |
Completeness [%] | 99.7 | |
Redundancy | 9.7 | |
CC(1/2) | 1.000 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30 % PEG 4000, 0.1 M TRIS pH 8, 0.3 M magnesium chloride |