Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-12-15 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 114.090, 100.020, 200.090 |
Unit cell angles | 90.00, 105.79, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
Rwork | 0.227 |
R-free | 0.25500 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | FRAGMENT D FROM STRUCTURE 1FZC |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
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 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.084 | 0.311 |
Total number of observations | 1506048 * | |
Number of reflections | 121776 | |
<I/σ(I)> | 11.1 | |
Completeness [%] | 94.8 | 67.8 |
Redundancy | 3 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7 * | pH 6.50 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 6 (mg/ml) | |
2 | 1 | drop | 0.15 (M) | ||
3 | 1 | drop | imidazole | 0.05 (M) | pH7.0 |
4 | 1 | reservoir | TMAO | 0.5 (M) | |
5 | 1 | reservoir | MES | 0.05 (M) | pH6.0 |
6 | 1 | reservoir | 1 (mM) | ||
7 | 1 | reservoir | sodium azide | 1 (mM) |