8A7K
PcIDS1 in complex with Mg2+/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 | 2019-04-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.080, 70.480, 94.900 |
| Unit cell angles | 90.00, 91.29, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.300 |
| R-factor | 0.1435 |
| Rwork | 0.142 |
| R-free | 0.16810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a6u |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.066 |
| 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 | 1.400 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.043 | 0.552 |
| Number of reflections | 180288 | 35194 |
| <I/σ(I)> | 12.1 | 2.1 |
| Completeness [%] | 96.0 | 94.4 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M BIS-TRIS, 0.1 M MgCl2, 26% PEG 3350 |
