Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.933 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 51.600, 51.600, 206.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.193 |
Rwork | 0.190 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3del |
RMSD bond length | 0.025 |
RMSD bond angle | 1.910 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.400 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.040 | 0.220 |
Number of reflections | 16816 | |
<I/σ(I)> | 8.3 | |
Completeness [%] | 97.6 | 92.4 |
Redundancy | 7.5 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | VAPOR DIFFUSION, HANGING DROP, temperature 293K |