3WJ1
Crystal structure of SSHESTI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2004-02-17 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 58.403, 71.942, 137.332 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.800 - 1.500 |
| R-factor | 0.158 |
| Rwork | 0.157 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.455 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.800 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.088 | 0.298 |
| Number of reflections | 45391 | |
| <I/σ(I)> | 14.7 | 3.6 |
| Completeness [%] | 97.7 | 98.5 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 13% PEG MME 2000, 100MM TRIS-HCL, PH 7.00, VAPOR DIFFUSION, temperature 293K |
