Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32B2 |
Synchrotron site | SPring-8 |
Beamline | BL32B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-07 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.419, 78.471, 143.758 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.723 - 2.000 |
R-factor | 0.18757 |
Rwork | 0.185 |
R-free | 0.23904 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2DTQ |
RMSD bond length | 0.017 |
RMSD bond angle | 1.672 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.086 | 0.677 |
Number of reflections | 38712 | |
<I/σ(I)> | 12.5 | 3.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 7 | 277 | deionized water, 20% 2,3-butanediol, pH 7.0, MICRODIALYSIS, temperature 277K |