6XD7
KPC-2 N170A mutant bound to hydrolyzed ampicillin at 1.65 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 | 56.830, 59.380, 77.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.260 - 1.650 |
R-factor | 0.1591 |
Rwork | 0.156 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ul8 |
Data reduction software | iMOSFLM (7.3.0) |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.260 | 36.260 | 1.680 |
High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
Rmerge | 0.150 | 0.085 | 2.656 |
Total number of observations | 1421 | 10976 | |
Number of reflections | 31981 | 247 | 1556 |
<I/σ(I)> | 7.4 | 15.4 | 1.5 |
Completeness [%] | 99.6 | 98.8 | 99.3 |
Redundancy | 6.6 | 5.8 | 7.1 |
CC(1/2) | 0.994 | 0.995 | 0.399 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 2.0 M Ammonium sulfate, 5% (v/v) Ethanol |