5CP3
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2014-01-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979150 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 126.624, 69.474, 62.009 |
| Unit cell angles | 90.00, 115.26, 90.00 |
Refinement procedure
| Resolution | 59.400 - 1.990 |
| R-factor | 0.2169 |
| Rwork | 0.214 |
| R-free | 0.26620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nld |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.806 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.400 | 50.000 | 2.070 |
| High resolution limit [Å] | 1.990 | 4.310 | 2.000 |
| Rmerge | 0.143 | 0.077 | 0.465 |
| Total number of observations | 114705 | ||
| Number of reflections | 32133 | ||
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 95.8 | 83.5 | 99.8 |
| Redundancy | 3.6 | 3.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M ammonium phosphate dibasic, 20% PEG3350 |
