3NHI
Crystal structure of the AnSt-D7L1-leukotriene C4 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.968, 40.906, 68.387 |
| Unit cell angles | 90.00, 110.68, 90.00 |
Refinement procedure
| Resolution | 25.750 - 1.430 |
| R-factor | 0.1681 |
| Rwork | 0.167 |
| R-free | 0.19020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.108 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.450 |
| High resolution limit [Å] | 1.430 | 3.880 | 1.430 |
| Rmerge | 0.043 | 0.022 | 0.303 |
| Number of reflections | 55648 | ||
| <I/σ(I)> | 16.8 | ||
| Completeness [%] | 99.5 | 99.5 | 94.8 |
| Redundancy | 4.7 | 4.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30 % PEG 3000, 0.2 M Lithium sulfate, 0.1 M Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
