7N54
Complex structure of GLAU4 with glaucine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | P 1 |
Unit cell lengths | 43.180, 54.198, 91.522 |
Unit cell angles | 104.90, 98.00, 89.99 |
Refinement procedure
Resolution | 43.760 - 2.000 |
R-factor | 0.2003 |
Rwork | 0.199 |
R-free | 0.23230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vw0 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18rc3_3805) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.061 | 0.044 | 0.320 |
Rmeas | 0.083 | 0.060 | 0.440 |
Rpim | 0.056 | 0.041 | 0.300 |
Total number of observations | 90722 | ||
Number of reflections | 50154 | 2582 | 2270 |
<I/σ(I)> | 6.7 | ||
Completeness [%] | 94.3 | 97.4 | 84.2 |
Redundancy | 1.8 | 1.9 | 1.5 |
CC(1/2) | 0.993 | 0.813 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 20% PEG3350, 0.2 M ammonium sulfate, 0.1 M sodium chloride, 0.1 M MES |