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 | CCD |
Collection date | 2006-04-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.635, 76.469, 62.790 |
Unit cell angles | 90.00, 109.06, 90.00 |
Refinement procedure
Resolution | 38.240 - 1.700 |
R-factor | 0.20004 |
Rwork | 0.198 |
R-free | 0.24629 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wmq |
RMSD bond length | 0.014 |
RMSD bond angle | 1.560 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.045 | 0.362 |
Number of reflections | 48341 | |
Completeness [%] | 99.4 | 98.4 |
Redundancy | 3.6 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 40% MPD, 0.1M HEPES, 0.1M MGCL2, pH 7.40, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MPD | ||
2 | 1 | 1 | HEPES | ||
3 | 1 | 1 | MgCl2 | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | MPD | ||
6 | 1 | 2 | HEPES | ||
7 | 1 | 2 | MgCl2 | ||
8 | 1 | 2 | H2O |