5U3N
Crystal Structure of DH511.12P Fab in Complex with HIV-1 gp41 MPER Peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-27 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 64.658, 102.518, 193.347 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.167 - 2.000 |
| R-factor | 0.1835 |
| Rwork | 0.182 |
| R-free | 0.22830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u3l |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.667 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.167 | 50.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 4.580 | 2.000 |
| Rmerge | 0.080 | 0.047 | 0.649 |
| Rmeas | 0.085 | ||
| Rpim | 0.030 | ||
| Total number of observations | 344034 | ||
| Number of reflections | 43739 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.9 | 99.5 | 99 |
| Redundancy | 7.9 | 7.6 | 6.4 |
| CC(1/2) | 0.998 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 4% Isopropanol, 3% PEG 3350, 0.75 M NH4SO4, 0.1 M C2H3NaO2 pH 4.5 |
