5I8K
HHH1 Fab fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-01 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.8726 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 62.647, 62.647, 227.891 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.331 - 1.771 |
R-factor | 0.1842 |
Rwork | 0.183 |
R-free | 0.21150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4MA3 with CDR regions removed |
RMSD bond length | 0.005 |
RMSD bond angle | 0.982 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.331 | 1.830 |
High resolution limit [Å] | 1.770 | 1.770 |
Number of reflections | 45033 | |
<I/σ(I)> | 21.15 | |
Completeness [%] | 99.2 | |
Redundancy | 10.16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15-19% (v/v) Isopropanol, 15-24.5% (w/v) PEG 3350, 0.075 M MES pH 5.5-6.0 |