Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-21 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 122.190, 228.510, 286.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.1579 |
Rwork | 0.156 |
R-free | 0.19350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 2.489 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 | |
High resolution limit [Å] | 1.900 | 50.000 | 1.900 |
Rmerge | 0.060 | 0.773 | |
Rmeas | 0.838 | ||
Number of reflections | 622012 | 63614 | |
<I/σ(I)> | 21.57 | 2.63 | |
Completeness [%] | 99.6 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRO-BATCH METHOD UNDER OIL | 6.1 | 285 | 5% PEG1450, 20mM NaCl, 10mM CaCl2, 40mM MgSO4, 20mM MES buffer, pH 6.1, MICRO-BATCH METHOD UNDER OIL, temperature 285K |