5NB5
Principles for computational design of antibodies
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-08-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.330, 109.390, 158.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.000 - 3.000 |
| R-factor | 0.22521 |
| Rwork | 0.223 |
| R-free | 0.25732 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qq9 2hff |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.376 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 21280 | 2854 |
| <I/σ(I)> | 3.8 | 1.1 |
| Completeness [%] | 93.0 | 85.9 |
| Redundancy | 4.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M (NH4)2SO4 0.05M Tris pH=8.5 12.5% PEG 3350 |
