3JSC
CcdBVfi-FormI-pH7.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-12 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8162 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 84.487, 84.487, 84.487 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.914 - 1.500 |
| R-factor | 0.1739 |
| Rwork | 0.172 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CcdB from monomer A (1VUB) |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.330 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.914 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.047 | 0.176 |
| Number of reflections | 16225 | |
| <I/σ(I)> | 34.2 | 12.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.89 | 18.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 50mM Tris pH 7.0, 35% PEG 400, 250mM LiSO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
