8A6Z
PcIDS1 in complex with Mn2+ and IPP
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 21 21 21 |
| Unit cell lengths | 57.940, 186.740, 213.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.400 |
| R-factor | 0.2258 |
| Rwork | 0.224 |
| R-free | 0.26790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a6u |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.231 |
| 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 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.137 | 0.596 |
| Number of reflections | 90473 | 10308 |
| <I/σ(I)> | 10.5 | 3.8 |
| Completeness [%] | 98.7 | 99 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M BIS-TRIS, 0.2 M MgCl2, 26% PEG 3350 |
