7U8S
Crystal Structure of KPC-2 with compound 2
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 | 2020-07-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 56.060, 59.950, 77.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.460 - 1.600 |
| R-factor | 0.2027 |
| Rwork | 0.201 |
| R-free | 0.23150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c5a |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.950 | 59.950 | 1.690 |
| High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
| Rmerge | 0.136 | 0.526 | |
| Rmeas | 0.127 | 0.149 | 0.576 |
| Rpim | 0.052 | 0.061 | 0.231 |
| Total number of observations | 202758 | 6919 | 30962 |
| Number of reflections | 35113 | 1252 | 5082 |
| <I/σ(I)> | 7.9 | 14.5 | 2.8 |
| Completeness [%] | 99.6 | 99.9 | 100 |
| Redundancy | 5.8 | 5.5 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2 M Ammonium Sulfate, 5%(v/v) Ethanol |
