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 | 2014-10-10 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.968, 206.342, 66.329 |
Unit cell angles | 90.00, 105.06, 90.00 |
Refinement procedure
Resolution | 29.260 - 1.840 |
R-factor | 0.2189 |
Rwork | 0.217 |
R-free | 0.25850 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.954 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.880 |
High resolution limit [Å] | 1.840 | 1.840 |
Number of reflections | 93892 | 4772 |
<I/σ(I)> | 26.3 | |
Completeness [%] | 98.4 | |
Redundancy | 3.8 | |
CC(1/2) | 0.996 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 287 | 0.2 M MgCl2, 0.1 M Tris-HCl (pH 8.5), and 25% (w/v) polyethylene glycol (PEG) 3,350 |