1PC6
Structural Genomics, NinB
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-07-02 |
Detector | SBC-2 |
Wavelength(s) | 0.9795,0.9797,0.94656 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 76.776, 76.776, 107.390 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.200 * - 2.500* |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.29400 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | d*TREK |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.079 | 0.492 |
Total number of observations | 100809 * | |
Number of reflections | 12916 | |
<I/σ(I)> | 29 | 2.24 |
Completeness [%] | 99.0 | 98.4 |
Redundancy | 7.8 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8 * | 21 * | 1.4M Na(AC), Sodium cacodylate, 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 | Tris-HCl | 20 (mM) | pH8.0 |
2 | 1 | drop | EDTA | 1 (mM) | |
3 | 1 | drop | dithiothreitol | 0.5 (mM) | |
4 | 1 | drop | 500 (mM) | ||
5 | 1 | drop | glycerol | 50 (%) | |
6 | 1 | drop | protein | 1.3 (mg/ml) | |
7 | 1 | reservoir | sodium acetate | 1.4 (M) | |
8 | 1 | reservoir | sodium cacodylate | 0.05 (M) | pH6.9 |