6MNP
Crystal structure of KPC-2 with compound 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 56.347, 59.768, 77.094 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.236 - 2.202 |
R-factor | 0.231 |
Rwork | 0.226 |
R-free | 0.27650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c5a |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.14_3228) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.136 | 0.076 | 0.806 |
Rmeas | 0.155 | 0.088 | 0.925 |
Rpim | 0.072 | 0.043 | 0.445 |
Total number of observations | 66050 | ||
Number of reflections | 13530 | 750 | 641 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 99.0 | 97.5 | 99.2 |
Redundancy | 4.9 | 4.5 | 4 |
CC(1/2) | 0.987 | 0.682 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.0 M Ammonium sulfate, 5% (v/v) Ethanol |