Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-14 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.9790, 0.9793, 0.9000 |
Spacegroup name | P 32 |
Unit cell lengths | 77.700, 77.700, 213.924 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.870 - 2.500 |
R-factor | 0.2086 |
Rwork | 0.203 |
R-free | 0.25708 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.404 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.086 | 0.423 |
Number of reflections | 51353 | |
<I/σ(I)> | 10.9 | 1.4 |
Completeness [%] | 98.5 | 86.3 |
Redundancy | 7.2 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 293 | 0.1M LITHIUM SULFATE, 0.1M N-(2-ACETAMIDE) IMINODIACETIC ACID PH 6.5, 12%(W/V) POLYETHYLENE GLYCOL 4000, 2%(V/V) ISO-PROPANOL, EVAPORATION, temperature 293.0K |