Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-04 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 153.732, 111.968, 110.873 |
Unit cell angles | 90.00, 110.87, 90.00 |
Refinement procedure
Resolution | 38.050 - 3.380 |
R-factor | 0.2925 |
Rwork | 0.290 |
R-free | 0.33710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2omf |
RMSD bond length | 0.006 |
RMSD bond angle | 1.192 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.440 |
High resolution limit [Å] | 3.380 | 9.160 | 3.380 |
Rmerge | 0.140 | 0.119 | 0.441 |
Rmeas | 0.152 | 0.133 | 0.473 |
Rpim | 0.057 | 0.057 | 0.172 |
Total number of observations | 184541 | ||
Number of reflections | 24876 | 1182 | 1250 |
<I/σ(I)> | 10.4 | ||
Completeness [%] | 99.5 | 91.2 | 100 |
Redundancy | 7.4 | 6.3 | 7.6 |
CC(1/2) | 0.947 | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 mM sodium cacodylate (pH 8.0) buffer containing 45% PEG 200, 0.12 M MgCl2 |