Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-02-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.977 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 127.605, 50.770, 52.081 |
Unit cell angles | 90.00, 113.37, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.500 |
R-factor | 0.19104 |
Rwork | 0.190 |
R-free | 0.21084 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1HFV |
RMSD bond length | 0.009 |
RMSD bond angle | 1.384 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.043 | 0.201 |
Number of reflections | 44072 | |
<I/σ(I)> | 12.9 | 3.1 |
Completeness [%] | 89.8 | 62.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | PEG3350, ammonium acetate, acetate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |