6NCF
The structure of Stable-5-Lipoxygenase bound to AKBA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.870, 203.720, 110.440 |
| Unit cell angles | 90.00, 109.71, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.871 |
| R-factor | 0.2776 |
| Rwork | 0.275 |
| R-free | 0.29720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.749 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.12rc2_2821) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 103.970 | 103.970 | 2.930 |
| High resolution limit [Å] | 2.870 | 13.760 | 2.870 |
| Rmerge | 0.252 | 0.044 | 1.035 |
| Rmeas | 0.294 | 0.053 | 1.233 |
| Rpim | 0.150 | 0.028 | 0.662 |
| Total number of observations | 267705 | ||
| Number of reflections | 70741 | 616 | 3776 |
| <I/σ(I)> | 5.5 | ||
| Completeness [%] | 97.0 | 89.8 | 79.7 |
| Redundancy | 3.8 | 3.6 | 3.2 |
| CC(1/2) | 0.982 | 0.998 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 8-12% Tacsimate pH 6.0 |
