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 | 1999-12-10 |
Wavelength(s) | 1.03320 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 112.572, 112.572, 95.955 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.158 * |
Rwork | 0.158 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 1SEK AND 1DPO |
RMSD bond length | 0.008 |
RMSD bond angle | 1.610 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.091 | 0.391 |
Total number of observations | 186342 * | |
Number of reflections | 30999 | |
<I/σ(I)> | 11.3 | 1.76 |
Completeness [%] | 98.4 | 95.6 |
Redundancy | 6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG 3350, DTT, POTASSIUM PHOSPHATE, SODIUM PHOSPHATE, 2-PROPANOL, AMMONIUM CHLORIDE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | MES | 20 (mM) | |
3 | 1 | drop | 100 (mM) | ||
4 | 1 | drop | dithiothreitol | 1 (mM) | |
5 | 1 | drop | EDTA | 1 (mM) | |
6 | 1 | reservoir | 1.0 (M) | ||
7 | 1 | reservoir | isopropanol | 4 (%(v/v)) | |
8 | 1 | reservoir | sodium potassium phosphate | 0.2 (M) | |
9 | 1 | reservoir | PEG3350 | 20 (%(w/v)) |