1GU3
CBM4 structure and function
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 77.634, 77.634, 55.630 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.217 |
Rwork | 0.209 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ulo |
RMSD bond length | 0.016 |
RMSD bond angle | 1.823 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.07) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.082 | 0.260 |
Number of reflections | 8313 | |
<I/σ(I)> | 18 | 3.6 |
Completeness [%] | 93.6 | 61 |
Redundancy | 4.3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5 | 1.8M AMMONIUM SULFATE, 3% ISOPROPANOL, pH 5.00 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 1.8 (M) | |
2 | 1 | reservoir | isopropanol | 3 (%(v/v)) |