Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2003-12-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 32.136, 25.172, 34.094 |
Unit cell angles | 90.00, 116.25, 90.00 |
Refinement procedure
Resolution | 16.060 - 0.960 |
R-factor | 0.10463 |
Rwork | 0.103 |
R-free | 0.12487 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bd1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.984 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.600 |
High resolution limit [Å] | 0.910 |
Rmerge | 0.079 |
Number of reflections | 14269 |
<I/σ(I)> | 53.4 |
Completeness [%] | 80.6 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | Sodium Cacodylate, Magnesium Acetate, MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |