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 | 2007-04-20 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.934 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 100.270, 120.920, 53.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.250 - 1.600 |
R-factor | 0.14291 |
Rwork | 0.142 |
R-free | 0.16707 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iys |
RMSD bond length | 0.013 |
RMSD bond angle | 1.677 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.250 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.076 | 0.397 |
Number of reflections | 86406 | |
<I/σ(I)> | 25 | 6.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 13.6 | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 15% PEG 4000, 15% 2-propanol, 0.1M sodium citrate, pH 5.6 |