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] | 95 |
Detector technology | CCD |
Collection date | 2003-12-03 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.978 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 61.166, 61.166, 175.597 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.290 - 1.900 |
R-factor | 0.1788 |
Rwork | 0.176 |
R-free | 0.22547 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xyf |
RMSD bond length | 0.015 |
RMSD bond angle | 1.403 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.065 | 0.294 |
Number of reflections | 27297 | |
<I/σ(I)> | 22.2 | 3.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | sodium chloride, dipotassium hydrogen phosphate, sodium dihydrogen phosphate, imidazole, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |