6CYF
PcrV fragment with bound Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Cu FINE FOCUS |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-25 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.686, 160.384, 260.681 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.780 |
R-factor | 0.21631 |
Rwork | 0.215 |
R-free | 0.24905 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jbu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.417 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.784 |
High resolution limit [Å] | 2.775 | 2.775 |
Rmerge | 0.115 | 0.800 |
Rmeas | 0.120 | 0.800 |
Rpim | 0.033 | 0.547 |
Number of reflections | 86545 | 845 |
<I/σ(I)> | 20.7 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.4 | 13.9 |
CC(1/2) | 0.999 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M of Ammonium Sulfate, 0.1 M of HEPES, pH 7.5 and 25% w/v of Polyethylene glycol 3350 |