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 | 2003-11-27 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 3 |
Unit cell lengths | 112.242, 112.242, 112.242 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.840 - 1.850 |
R-factor | 0.164 |
Rwork | 0.164 |
R-free | 0.18400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c3q |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.840 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.056 | 0.324 |
Number of reflections | 20162 | |
Completeness [%] | 99.8 | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH METHOD | 9.3 | 295 | 0.88M SODIUMCITRATE, 0.1M CHESS, pH 9.3, MICROBATCH METHOD, temperature 295K |