Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 96.100, 186.840, 90.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.260 - 1.860 |
R-factor | 0.19985 |
Rwork | 0.198 |
R-free | 0.22691 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j49 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.720 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.260 | 1.960 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.097 | 0.827 |
Rpim | 0.040 | 0.349 |
Number of reflections | 68606 | 9844 |
<I/σ(I)> | 12.3 | 2.2 |
Completeness [%] | 99.9 | 99.2 |
Redundancy | 7 | 6.4 |
CC(1/2) | 0.996 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100 mM sodium acetate (pH 5.5), 8% PEG3350, and 50 mM magnesium chloride. |