8PYZ
Structure of Ompk36GD from Klebsiella pneumonia, solved at wavelength 4.13 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I23 |
| Synchrotron site | Diamond |
| Beamline | I23 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-10-07 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 4.1328 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 233.033, 74.366, 90.119 |
| Unit cell angles | 90.00, 112.04, 90.00 |
Refinement procedure
| Resolution | 83.530 - 2.700 |
| R-factor | 0.2001 |
| Rwork | 0.198 |
| R-free | 0.24080 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.527 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CRANK2 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.530 | 2.799 |
| High resolution limit [Å] | 2.700 | 2.702 |
| Number of reflections | 77000 | 3499 |
| <I/σ(I)> | 24.03 | |
| Completeness [%] | 97.4 | |
| Redundancy | 22.3 | |
| CC(1/2) | 0.996 | 0.957 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1M Lithium sulfate, 0.1M sodium citrate pH 5.6 and 12% PEG4000 |
