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 |