8BMV
Ligand binding domain of the P. Putida receptor McpH in complex with Uric acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.581, 124.322, 57.201 |
Unit cell angles | 90.00, 99.33, 90.00 |
Refinement procedure
Resolution | 32.150 - 1.950 |
R-factor | 0.1847 |
Rwork | 0.182 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AF2 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.005 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP (11.0 /22.07.2010/) |
Refinement software | PHENIX (1..20.1-4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 124.320 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.055 | 0.780 |
Rmeas | 0.068 | 0.948 |
Rpim | 0.039 | 0.532 |
Total number of observations | 91788 | 6969 |
Number of reflections | 31404 | 2283 |
<I/σ(I)> | 11.4 | 1.7 |
Completeness [%] | 96.1 | |
Redundancy | 2.9 | 3.1 |
CC(1/2) | 0.998 | 0.602 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293.5 | 100 mM cacodilato sodico a diferentes pH5.0, 30% Peg 8000,10% Glicerol,20 mM AcNA |