5UIX
Crystal Structure of the DH576 CD4bs Fab (unliganded) from the RV305 HIV Vaccine Trial
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97925 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 87.638, 149.725, 74.108 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.819 - 2.501 |
| R-factor | 0.2131 |
| Rwork | 0.211 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jm2 4lss |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.888 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.550 |
| High resolution limit [Å] | 2.510 | 6.810 | 2.510 |
| Rmerge | 0.219 | 0.104 | 0.700 |
| Rmeas | 0.248 | 0.118 | 0.849 |
| Rpim | 0.115 | 0.054 | 0.470 |
| Total number of observations | 65840 | ||
| Number of reflections | 16590 | ||
| <I/σ(I)> | 3.1 | ||
| Completeness [%] | 96.6 | 93 | 94.9 |
| Redundancy | 4 | 4.1 | 2.7 |
| CC(1/2) | 0.990 | 0.571 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG 4000, 100mM Hepes, pH 7.0, 1M NaCl |
