Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-01 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 120.479, 120.479, 136.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.193 * |
Rwork | 0.193 |
R-free | 0.24000 |
Structure solution method | SIRAS |
RMSD bond length | 0.009 * |
RMSD bond angle | 1.800 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.079 * | 0.238 |
Total number of observations | 442770 * | |
Number of reflections | 33216 | |
<I/σ(I)> | 19 | |
Completeness [%] | 96.9 | 94.1 * |
Redundancy | 5.0 * | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.6 | pH 5.60 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | ||
2 | 1 | reservoir | sodium citrate |