6A9K
Crystal structure of the complex of the hydrolytic antibody Fab 9C10 with a transition-state analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.986, 36.553, 111.986 |
| Unit cell angles | 90.00, 91.50, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.197 |
| Rwork | 0.194 |
| R-free | 0.24929 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dtm |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.818 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.155 | 0.921 |
| Rmeas | 0.167 | 1.005 |
| Rpim | 0.063 | 0.397 |
| Number of reflections | 59706 | 3012 |
| <I/σ(I)> | 10.9 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 6.3 |
| CC(1/2) | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | 50 mM Tris-HCl, 25% PEG 3350, 0.1 mM EDTA, pH8.3 |
