3ULS
Crystal structure of Fab12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-10 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.800, 80.210, 83.050 |
| Unit cell angles | 90.00, 115.60, 90.00 |
Refinement procedure
| Resolution | 34.397 - 2.495 |
| R-factor | 0.2152 |
| Rwork | 0.212 |
| R-free | 0.26680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g6d |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.719 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.400 | 2.560 |
| High resolution limit [Å] | 2.495 | 2.495 |
| Rmerge | 0.093 | 0.500 |
| Number of reflections | 30263 | |
| <I/σ(I)> | 11.5 | 2.4 |
| Completeness [%] | 96.1 | 79.3 |
| Redundancy | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 18% PEG8000, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
