4IGW
Crystal structure of kirola (Act d 11) in P6122 space group
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 | 2009-06-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 59.989, 59.989, 339.022 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.550 |
| R-factor | 0.21973 |
| Rwork | 0.218 |
| R-free | 0.25299 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4igv |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.702 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.085 | 0.610 |
| Number of reflections | 12244 | |
| <I/σ(I)> | 21.4 | 3.4 |
| Completeness [%] | 94.6 | 95.3 |
| Redundancy | 6.5 | 6.4 |
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% w/v PEG3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
