6WG2
Crystal structure of Fab239 in complex with NPNA4 peptide from circumsporozoite protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.166, 55.706, 115.732 |
Unit cell angles | 90.00, 98.89, 90.00 |
Refinement procedure
Resolution | 32.805 - 2.534 |
R-factor | 0.1971 |
Rwork | 0.195 |
R-free | 0.24640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Homology model |
RMSD bond length | 0.002 |
RMSD bond angle | 0.565 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.580 |
High resolution limit [Å] | 2.534 | 2.534 |
Rpim | 0.082 | 0.522 |
Number of reflections | 31852 | 1613 |
<I/σ(I)> | 7.9 | 1.6 |
Completeness [%] | 91.9 | 93.6 |
Redundancy | 3.7 | 3.6 |
CC(1/2) | 0.880 | 0.521 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 20% PEG6000, 0.1 M HEPES, pH 7.0 |