3FO2
Crystal structure of hapten complex of catalytic elimination antibody 13G5 (Glu(L39)Gln mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.116, 86.220, 113.643 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.270 - 2.180 |
| R-factor | 0.20404 |
| Rwork | 0.201 |
| R-free | 0.25583 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gjz |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.527 |
| 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 | 2.250 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Number of reflections | 39309 | |
| <I/σ(I)> | 15.9 | 2.2 |
| Completeness [%] | 91.8 | 87.8 |
| Redundancy | 3.2 | 3.2 |
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 |
