2OQJ
Crystal structure analysis of Fab 2G12 in complex with peptide 2G12.1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-07-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.264, 171.348, 119.568 |
| Unit cell angles | 90.00, 105.64, 90.00 |
Refinement procedure
| Resolution | 48.700 - 2.800 |
| R-factor | 0.236 |
| Rwork | 0.234 |
| R-free | 0.27461 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1op3 with carbohydrate removed from the Fab binding site |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.014 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.700 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 62018 | |
| <I/σ(I)> | 9.8 | 2.5 |
| Completeness [%] | 98.2 | 97.9 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.33M Na/K phosphate, 0.2M isopropanol, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.K |
