Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-31 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 109.913, 109.913, 182.412 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.550 |
R-factor | 0.25179 |
Rwork | 0.248 |
R-free | 0.31715 |
Structure solution method | SIRAS |
RMSD bond length | 0.005 |
RMSD bond angle | 1.082 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.640 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.080 | 0.500 |
Number of reflections | 40637 | |
<I/σ(I)> | 18 | 2.4 |
Completeness [%] | 96.4 | 76 |
Redundancy | 6.1 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | 0.2 M di-Sodium tartate dihydrate, 20 % w/v Polyethylene glycol 3350, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | 0.2 M di-Sodium tartate dihydrate, 20 % w/v Polyethylene glycol 3350, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | 0.2 M di-Sodium tartate dihydrate, 20 % w/v Polyethylene glycol 3350, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K |