7CNY
Crystal structure of 8PE bound PSD from E. coli (2.12 A)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-12 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97957 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.149, 79.460, 146.775 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.650 - 2.120 |
| R-factor | 0.2399 |
| Rwork | 0.238 |
| R-free | 0.27430 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.538 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.350 | 29.350 | 2.180 |
| High resolution limit [Å] | 2.120 | 8.990 | 2.120 |
| Rmerge | 0.122 | 0.020 | 2.231 |
| Rmeas | 0.132 | 0.022 | 2.406 |
| Rpim | 0.050 | 0.009 | 0.896 |
| Total number of observations | 351626 | 4807 | 29599 |
| Number of reflections | 51984 | 762 | 4215 |
| <I/σ(I)> | 10.9 | 54.6 | 1 |
| Completeness [%] | 99.9 | 97.1 | 99.9 |
| Redundancy | 6.8 | 6.3 | 7 |
| CC(1/2) | 0.999 | 1.000 | 0.504 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Potassium thiocyanate, 30% w/v PEGMME 2000 |
