Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-09-15 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.346, 60.760, 78.245 |
Unit cell angles | 90.00, 102.29, 90.00 |
Refinement procedure
Resolution | 20.000 * - 1.800 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gpq |
RMSD bond length | 0.005 |
RMSD bond angle | 23.200 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 * | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.057 | 0.323 |
Total number of observations | 122164 * | |
Number of reflections | 42990 | 4166 * |
<I/σ(I)> | 7.7 | 2.3 |
Completeness [%] | 96.5 | 96.5 |
Redundancy | 2.8 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8 * | 20% POLYETHYLENEGLYCOL 4000, IMIDAZOLE/MALATE 0.2M PH 6.0, 5% GLYCEROL |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 3.4 (mg/ml) | |
2 | 1 | drop | Tris | 20 (mM) | pH8 |
3 | 1 | reservoir | imidazole malate | 0.2 (M) | pH6.0 |
4 | 1 | reservoir | PEG4000 | 15-20 (%(w/v)) | |
5 | 1 | reservoir | glycerol | 5 (%) |