7BUJ
mcGAS bound with pppGpG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97892 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.798, 109.632, 75.501 |
Unit cell angles | 90.00, 93.52, 90.00 |
Refinement procedure
Resolution | 47.708 - 2.130 |
R-factor | 0.2192 |
Rwork | 0.216 |
R-free | 0.27840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k96 |
Data reduction software | HKL-2000 (v715) |
Data scaling software | HKL-2000 (v715) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.14) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.075 | 0.043 | 0.695 |
Rmeas | 0.082 | 0.046 | 0.778 |
Rpim | 0.031 | 0.018 | 0.339 |
Total number of observations | 266589 | ||
Number of reflections | 42079 | 2185 | 1903 |
<I/σ(I)> | 5.1 | ||
Completeness [%] | 98.4 | 99.5 | 89.1 |
Redundancy | 6.3 | 6.8 | 4.5 |
CC(1/2) | 0.998 | 0.758 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.15 M Ammonium sulfate, 0.1 M Sodium HEPES, 20 % w/v PEG-4000, pH 6.8 |