5FB7
Ligand binding domain 2 of Penicillium marneffei MP1 protein complexed with multiple arachidonic acids
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 59.239, 98.495, 100.120 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.500 |
R-factor | 0.1923 |
Rwork | 0.191 |
R-free | 0.21690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5csd |
RMSD bond length | 0.017 |
RMSD bond angle | 1.432 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
Rmerge | 0.066 | 0.045 | 0.567 |
Total number of observations | 668581 | ||
Number of reflections | 90586 | ||
<I/σ(I)> | 13 | ||
Completeness [%] | 98.9 | 90.2 | 100 |
Redundancy | 7.4 | 6.9 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | PEG 4000, sodium acetate, ammonium acetate |