3SAO
The Siderocalin Ex-FABP functions through dual ligand specificities
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.950, 68.890, 117.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.680 - 1.800 |
R-factor | 0.2037 |
Rwork | 0.202 |
R-free | 0.23330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1YUP and 1EW3 were superimposed and used as single search model ensemble. |
RMSD bond length | 0.014 |
RMSD bond angle | 1.448 |
Data reduction software | d*TREK (9.9.3D) |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.680 | 44.680 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.058 | 0.039 | 0.417 |
Total number of observations | 13710 | 13437 | |
Number of reflections | 27696 | ||
<I/σ(I)> | 11 | 30.1 | 3.3 |
Completeness [%] | 94.2 | 89.1 | 94.4 |
Redundancy | 4.87 | 4.84 | 4.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 22% PEG 4000, 0.1M Tris, 0.2M sodium acetate, 10% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |