Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-02-09 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 0.80 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 109.092, 116.463, 87.362 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 0.990 |
R-factor | 0.122 |
Rwork | 0.121 |
R-free | 0.13000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e4i |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.27) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.030 |
High resolution limit [Å] | 0.990 | 0.990 |
Rmerge | 0.048 | |
Number of reflections | 305837 | |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.4 | 295 | PEG 4000, HEPES, Calcium chloride, pH 7.40, MICROBATCH, temperature 295.0K |