4QF1
Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.332, 70.803, 107.314 |
| Unit cell angles | 90.00, 96.84, 90.00 |
Refinement procedure
| Resolution | 25.800 - 2.400 |
| R-factor | 0.1841 |
| Rwork | 0.182 |
| R-free | 0.22920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Mature unliganded CH59 Fab |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.068 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 25.800 |
| High resolution limit [Å] | 2.400 |
| Number of reflections | 44571 |
| <I/σ(I)> | 17.2 |
| Completeness [%] | 99.7 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | A drop of 0.3 ul protein plus 0.3 ul reservoir, over the 60 ul reservoir which was 0.05 M CaCl2 dihydrate, 0.1 M MES monohydrate pH 6.0, 45% PEG 200., VAPOR DIFFUSION, SITTING DROP, temperature 293K |
