8A7J
PcIDS1 in complex with Mn2+, IPP, and ZOL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.830, 70.630, 94.090 |
| Unit cell angles | 90.00, 91.43, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.200 |
| R-factor | 0.1335 |
| Rwork | 0.133 |
| R-free | 0.15230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a6u |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.705 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.300 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.036 | 0.454 |
| Number of reflections | 229848 | 48891 |
| <I/σ(I)> | 13.8 | 2.1 |
| Completeness [%] | 97.5 | 97.6 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M BIS-TRIS, 0.1 M NaCl, 23%PEG 3350 |
