6V1J
Structure of KPC-2 bound to QPX7728 at 1.30 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 2 21 21 |
Unit cell lengths | 55.660, 59.990, 78.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.800 - 1.300 |
R-factor | 0.146 |
Rwork | 0.144 |
R-free | 0.18020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ul8 |
Data reduction software | iMOSFLM (7.2.2) |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.340 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.164 | 1.990 |
Total number of observations | 21968 | |
Number of reflections | 65033 | 3161 |
<I/σ(I)> | 9.6 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.2 | 6.9 |
CC(1/2) | 0.997 | 0.638 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 2.0 M Ammonium sulfate, 5% (v/v) Ethanol |