Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 122.704, 202.850, 247.103 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.310 - 3.000 |
R-factor | 0.18751 |
Rwork | 0.185 |
R-free | 0.23393 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.704 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.089 | 0.330 |
Number of reflections | 123152 | |
<I/σ(I)> | 6 | |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 8.3 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 16% PEG 8000, 200 mM calcium acetate (CaAc2), 22.5 mM sodium nitrite (NO2), 100 mM bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |