Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0054 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 78.894, 78.894, 93.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.720 - 1.800 |
R-factor | 0.20364 |
Rwork | 0.202 |
R-free | 0.23963 |
Structure solution method | UV-RIP |
RMSD bond length | 0.028 |
RMSD bond angle | 2.157 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 26679 | |
<I/σ(I)> | 31.5 | 3 |
Completeness [%] | 97.7 | 82.3 |
Redundancy | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 1.9 M SODIUM/POTASSIUM PHOSPHATE, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 1.9 M SODIUM/POTASSIUM PHOSPHATE, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |