6WFX
Crystal structure of Fab395 in complex with NPNA2 peptide from circumsporozoite protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03324 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.420, 78.662, 90.666 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.917 - 2.590 |
R-factor | 0.2003 |
Rwork | 0.198 |
R-free | 0.24390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Homology model |
RMSD bond length | 0.002 |
RMSD bond angle | 0.598 |
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 | 2.490 |
High resolution limit [Å] | 2.450 | 2.450 |
Rpim | 0.114 | 0.770 |
Number of reflections | 16577 | 749 |
<I/σ(I)> | 10.2 | 1.1 |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 6.7 | 6 |
CC(1/2) | 0.787 | 0.338 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293.15 | 30% PEG4000, 0.2 M ammonium acetate, 0.1 M sodium citrate, pH 5.6 |