4IGX
Crystal structure of kirola (Act d 11) - triclinic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.661, 43.039, 94.126 |
| Unit cell angles | 76.70, 85.67, 83.49 |
Refinement procedure
| Resolution | 50.000 - 2.350 |
| R-factor | 0.18695 |
| Rwork | 0.184 |
| R-free | 0.24180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4igv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.409 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.086 | 0.340 |
| Number of reflections | 23741 | |
| <I/σ(I)> | 18.3 | 2.3 |
| Completeness [%] | 97.1 | 84.8 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris, 0.2 M sodium chloride, 25% PEG3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
