6MD8
Crystal structure of CTX-M-14 with compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-04-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.202, 106.878, 47.781 |
| Unit cell angles | 90.00, 101.89, 90.00 |
Refinement procedure
| Resolution | 23.378 - 1.400 |
| R-factor | 0.1486 |
| Rwork | 0.148 |
| R-free | 0.16940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ylt |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| 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 | 1.420 |
| High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
| Rmerge | 0.030 | 0.027 | 0.060 |
| Rmeas | 0.036 | 0.033 | 0.074 |
| Rpim | 0.019 | 0.019 | 0.043 |
| Total number of observations | 308974 | ||
| Number of reflections | 86617 | 3958 | 4279 |
| <I/σ(I)> | 34.7 | ||
| Completeness [%] | 99.1 | 88.8 | 98.8 |
| Redundancy | 3.6 | 3.3 | 2.9 |
| CC(1/2) | 0.997 | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 293 | 1 M Potassium Phosphate |
