Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.947, 120.807, 186.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.830 - 2.050 |
R-factor | 0.2396 |
Rwork | 0.238 |
R-free | 0.27720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3x30 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.313 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 95090 | 3443 |
<I/σ(I)> | 19.2 | |
Completeness [%] | 93.2 | |
Redundancy | 5.6 | |
CC(1/2) | 0.990 | 0.593 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM MES (pH 6.5), 50mM cesium chloride, 30% (v/v) Jeffamine M-600 (pH 7.0) |