Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 |
Unit cell lengths | 81.880, 111.670, 113.760 |
Unit cell angles | 80.03, 74.34, 68.83 |
Refinement procedure
Resolution | 30.000 - 4.004 |
R-factor | 0.32 |
Rwork | 0.319 |
R-free | 0.33120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3H5M |
RMSD bond length | 0.032 |
RMSD bond angle | 1.731 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 4.200 |
High resolution limit [Å] | 4.000 | 4.000 |
Rmerge | 0.042 | 0.153 |
Number of reflections | 58157 | |
<I/σ(I)> | 1.48 | |
Completeness [%] | 95.6 | 94.8 |
Redundancy | 1.1 | 1.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20% PEG 400, 100mM Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |