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 | 2012-05-21 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9643 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 45.384, 45.384, 250.522 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.290 - 1.900 |
R-factor | 0.2751 |
Rwork | 0.273 |
R-free | 0.29600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1itx |
RMSD bond length | 0.006 |
RMSD bond angle | 0.945 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.290 | 2.020 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.080 | 0.750 |
Number of reflections | 23722 | 3113 |
<I/σ(I)> | 30.94 | 3.46 |
Completeness [%] | 95.6 | 80.1 |
Redundancy | 27.82 | 11.66 |
CC(1/2) | 1.000 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 200 mM MgCl2, 30 % (w/v) PEG 4000, 100 mM Tris-Cl pH 8.5 |