Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 1999-09-20 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 88.398, 41.533, 33.761 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 * - 1.700 |
R-factor | 0.2 |
Rwork | 0.199 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b1i |
RMSD bond length | 0.010 |
RMSD bond angle | 1.280 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.19) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.104 | 0.377 |
Total number of observations | 107706 * | |
Number of reflections | 13959 | |
<I/σ(I)> | 10.8 | 9.6 |
Completeness [%] | 97.2 | 99.7 |
Redundancy | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.2 | 15% PEG 4000, 0.02% DIOXANE, 0.2M SODIUM POTASSIUM TARTRATE, 0.02M SODIUM CITRATE BUFFER, PH 5.2 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 15 (%(w/v)) | |
2 | 1 | reservoir | dioxane | 0.02 (%(v/v)) | |
3 | 1 | reservoir | sodium potassium tartrate | 0.2 (M) | |
4 | 1 | reservoir | citric acid/NaOH | 0.02 (M) | pH5.2 |
5 | 1 | drop | protein | 15-20 (mg/ml) |