2ZPK
Crystal structure of P20.1 Fab fragment in complex with its antigen peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-12-12 |
Detector | DIP-6040 |
Wavelength(s) | 0.9000 |
Spacegroup name | P 1 |
Unit cell lengths | 40.045, 65.271, 85.030 |
Unit cell angles | 99.93, 93.50, 96.46 |
Refinement procedure
Resolution | 46.780 - 1.800 |
R-factor | 0.1735 |
Rwork | 0.172 |
R-free | 0.20370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nc4 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.470 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.780 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.042 | 0.234 |
Number of reflections | 76301 | |
<I/σ(I)> | 10.3 | 3.2 |
Completeness [%] | 97.8 | 95.3 |
Redundancy | 2.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 20-23% (wt/vol) PEG 3000, 0.1M Sodium acetate (pH4.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K |