4X0K
Engineered Fab fragment specific for EYMPME (EE) peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 53.559, 67.131, 71.877 |
Unit cell angles | 71.30, 78.10, 85.31 |
Refinement procedure
Resolution | 32.965 - 2.040 |
R-factor | 0.1667 |
Rwork | 0.165 |
R-free | 0.20730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sob |
RMSD bond length | 0.004 |
RMSD bond angle | 0.880 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
High resolution limit [Å] | 2.040 | 5.560 | 2.050 |
Rmerge | 0.084 | 0.044 | 0.580 |
Total number of observations | 226592 | ||
Number of reflections | 57696 | ||
<I/σ(I)> | 8.9 | ||
Completeness [%] | 98.0 | 99.5 | 96.8 |
Redundancy | 3.9 | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.1 M HEPES (pH 7.5), 100 mM calcium acetate, 20-26% (w/v) PEG 8000, and 3% 1-propanol |