8A78
PcIDS1_F315A in complex with Mg2+/Mn2+ and 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 | 2020-02-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.090, 78.790, 88.480 |
| Unit cell angles | 90.00, 102.17, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.600 |
| R-factor | 0.1502 |
| Rwork | 0.148 |
| R-free | 0.18910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8a6u |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.370 |
| 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 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.542 |
| Number of reflections | 98744 | 15998 |
| <I/σ(I)> | 11.4 | 2 |
| Completeness [%] | 94.5 | 92.5 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES, 0.6 NaCl, 20%PEG 4000 |
