6V1P
Structure of VIM-2 bound to QPX7728 at 1.20 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 66.670, 79.120, 77.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.200 - 1.200 |
R-factor | 0.1439 |
Rwork | 0.143 |
R-free | 0.16820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ko3 |
Data reduction software | iMOSFLM (7.2.2) |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.540 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.150 | 2.019 |
Total number of observations | 24912 | |
Number of reflections | 122856 | 4666 |
<I/σ(I)> | 9 | 1.7 |
Completeness [%] | 96.5 | 75.3 |
Redundancy | 7.2 | 5.3 |
CC(1/2) | 0.997 | 0.457 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.17 M Ammonium acetate, 0.085 M Sodium acetate pH 4.6, 25.5% (w/v) PEG4000, 15% (v/v) Glycerol, 1 mM TCEP |