Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97886 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 152.690, 171.820, 175.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.876 - 3.300 |
R-factor | 0.2015 |
Rwork | 0.200 |
R-free | 0.23360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ova |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.480 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmeas | 0.186 | 0.996 |
Number of reflections | 34971 | 5020 |
<I/σ(I)> | 9.8 | 2.2 |
Completeness [%] | 100.0 | |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M NA CITRATE PH 5.0, 3% MPD, 20% PEG 3350 |