5DP2
CurF ER cyclopropanase from curacin A biosynthetic pathway
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.72932 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.906, 47.294, 76.902 |
| Unit cell angles | 90.00, 123.44, 90.00 |
Refinement procedure
| Resolution | 30.000 - 0.960 |
| R-factor | 0.11724 |
| Rwork | 0.117 |
| R-free | 0.13058 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5doz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.513 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 0.960 |
| Rmerge | 0.080 |
| Number of reflections | 197326 |
| <I/σ(I)> | 9.5 |
| Completeness [%] | 99.4 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M HEPES pH 7.5, 28% PEG 3350 |
