3TF6
Crystal structure of Neutrophil gelatinase-associated lipocalin (C87S mutant) in complex with Europium and the siderophore analog tren(cam)(1,2-hopo)2
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 | 2007-08-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 114.090, 114.090, 118.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.950 - 2.350 |
R-factor | 0.194 |
Rwork | 0.191 |
R-free | 0.21600 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.214 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.950 | 10.510 | 2.410 |
High resolution limit [Å] | 2.350 | 7.430 | 2.350 |
Rmerge | 0.068 | 0.024 | 0.508 |
Number of reflections | 33104 | 1274 | 4605 |
<I/σ(I)> | 22.39 | 59.9 | 4.1 |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 14.4 | 14.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 1.0-1.5 M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, SSGCID PROTEIN TRACKING DATA: HosaA.18070.a.BE13.PC00083, VAPOR DIFFUSION, HANGING DROP, temperature 291K |