6RAU
PostS3_Pmar_lig4_WT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.725, 102.497, 68.356 |
| Unit cell angles | 90.00, 91.44, 90.00 |
Refinement procedure
| Resolution | 24.173 - 1.990 |
| R-factor | 0.1951 |
| Rwork | 0.193 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Home-made |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.364 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.081 | 1.154 |
| Rpim | 0.039 | 0.565 |
| Number of reflections | 62306 | 4599 |
| <I/σ(I)> | 9.3 | 1.1 |
| Completeness [%] | 98.9 | 99.2 |
| Redundancy | 5.5 | |
| CC(1/2) | 0.998 | 0.640 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | PEG BUFFER |
