4ZQ0
crystal structure of Giardia 14-3-3 in complex with the phosphopeptide A8Ap
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.932 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.958, 109.408, 78.568 |
Unit cell angles | 90.00, 92.64, 90.00 |
Refinement procedure
Resolution | 48.010 - 3.100 |
R-factor | 0.2066 |
Rwork | 0.203 |
R-free | 0.26570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4f7r |
RMSD bond length | 0.008 |
RMSD bond angle | 1.187 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.8) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.010 | 48.010 | 3.310 |
High resolution limit [Å] | 3.100 | 8.770 | 3.100 |
Rmerge | 0.145 | 0.034 | 0.913 |
Rpim | 0.069 | 0.018 | 0.437 |
Total number of observations | 113267 | 4723 | 20824 |
Number of reflections | 21585 | ||
<I/σ(I)> | 10.3 | 34.7 | 2 |
Completeness [%] | 99.9 | 99.2 | 100 |
Redundancy | 5.2 | 4.8 | 5.3 |
CC(1/2) | 0.997 | 0.999 | 0.712 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | PEG 5000 MME 25% w/v, Lithium acetate 0.2 M |