Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.984, 95.535, 110.522 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.590 - 2.300 |
Rwork | 0.215 |
R-free | 0.26900 |
Structure solution method | MOLECULAR REPLACEMENT, SAD |
Starting model (for MR) | 1gup |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.350 |
High resolution limit [Å] | 2.300 | 5.670 | 2.300 |
Rmerge | 0.044 | 0.023 | 0.406 |
Number of reflections | 27575 | ||
<I/σ(I)> | 24.03 | 3.646 | |
Completeness [%] | 95.6 | 80.4 | |
Redundancy | 6.4 | 6.8 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 10 MG/ML PROTEIN, 20% PEG 2K, 0.2M SODIUM CHLORIDE, 0.1M MES-ACETATE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 10 MG/ML PROTEIN, 20% PEG 2K, 0.2M SODIUM CHLORIDE, 0.1M MES-ACETATE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 10 MG/ML PROTEIN, 20% PEG 2K, 0.2M SODIUM CHLORIDE, 0.1M MES-ACETATE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |