6XJ8
KPC-2 N170A mutant bound to hydrolyzed imipenem at 2.05 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 | PIXEL |
Collection date | 2018-03-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 56.599, 59.360, 77.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.230 - 2.050 |
R-factor | 0.1878 |
Rwork | 0.185 |
R-free | 0.23840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ul8 |
Data reduction software | iMOSFLM (7.3.0) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.230 | 36.230 | 2.110 |
High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
Rmerge | 0.231 | 0.211 | 0.561 |
Total number of observations | 1318 | 8735 | |
Number of reflections | 16583 | 245 | 1272 |
<I/σ(I)> | 5.1 | 7.3 | 3.1 |
Completeness [%] | 98.2 | 98.4 | 99.3 |
Redundancy | 6.4 | 5.4 | 6.9 |
CC(1/2) | 0.961 | 0.965 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 2.0 M Ammonium sulfate, 5% (v/v) Ethanol |