2R1Y
Crystal structure of S25-2 Fab in complex with Kdo analogues
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-25 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.740, 81.420, 131.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.600 |
| R-factor | 0.23 |
| Rwork | 0.229 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.461 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK (9.4SSI) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.940 | 19.940 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
| Rmerge | 0.051 | 0.035 | 0.324 |
| Total number of observations | 27595 | 22970 | |
| Number of reflections | 64881 | ||
| <I/σ(I)> | 11.4 | 32.7 | 3.1 |
| Completeness [%] | 98.8 | 94.2 | 100 |
| Redundancy | 4.19 | 4.15 | 3.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 300 | PEG 4000, ethelyene glycol, pH 8.0, VAPOR DIFFUSION, temperature 300K |
