4IAW
Engineered human lipocalin 2 (C26) in complex with Y-DTPA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 113.260, 113.260, 119.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.360 - 2.400 |
R-factor | 0.2262 |
Rwork | 0.224 |
R-free | 0.26960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dtq |
RMSD bond length | 0.014 |
RMSD bond angle | 1.514 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 82.360 | 19.997 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.028 | 0.368 | |
Rmeas | 0.029 | 0.381 | |
Rpim | 0.008 | 0.099 | |
Total number of observations | 12718 | 66298 | |
Number of reflections | 31127 | ||
<I/σ(I)> | 24.7 | 41.6 | 8.5 |
Completeness [%] | 99.8 | 94.7 | 100 |
Redundancy | 14.6 | 12.1 | 14.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 293 | 2M dipotassium phosphate, 0.2M lithium sulfate, 0.1M CAPS/NaOH, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |