8A7B
PcIDS1_D319N in complex with Mg2+ and 3-Br-GPP
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 | 2018-04-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.310, 77.970, 88.710 |
| Unit cell angles | 90.00, 101.26, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.650 |
| R-factor | 0.1565 |
| Rwork | 0.155 |
| R-free | 0.17470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a6u |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.199 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.041 | 0.522 |
| Number of reflections | 94379 | 14986 |
| <I/σ(I)> | 13.2 | 2.1 |
| Completeness [%] | 98.4 | 99.2 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES, 0.2 M MgCl2, 25% PEG 4000 |
