3FO0
Crystal structure of hapten complex of catalytic elimination antibody 13G5 (wild-type)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 84.071, 87.001, 59.419 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.390 - 2.500 |
| R-factor | 0.22163 |
| Rwork | 0.219 |
| R-free | 0.27684 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gjz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.409 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 15696 | |
| <I/σ(I)> | 36.3 | 3.8 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 6.6 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 25% PEG 3350, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
