Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-04-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.860, 76.850, 78.890 |
Unit cell angles | 90.00, 102.08, 90.00 |
Refinement procedure
Resolution | 24.930 - 1.650 |
R-factor | 0.1267 |
Rwork | 0.123 |
R-free | 0.15810 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1k07 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.354 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.029 | 0.051 |
Number of reflections | 61308 | 8838 |
<I/σ(I)> | 21.9 | |
Completeness [%] | 97.9 | 96.9 |
Redundancy | 3.5 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG4000, 0.2M ammonium sulfate, 0.010MM ZnCl2, pH 5.0 |