4IGY
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 | 2009-06-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.144, 56.094, 64.949 |
| Unit cell angles | 66.34, 85.37, 65.24 |
Refinement procedure
| Resolution | 50.000 - 2.920 |
| R-factor | 0.21186 |
| Rwork | 0.210 |
| R-free | 0.25833 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4igv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.393 |
| 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 | 2.970 |
| High resolution limit [Å] | 2.920 | 2.920 |
| Rmerge | 0.103 | 0.298 |
| Number of reflections | 14019 | |
| <I/σ(I)> | 8.3 | 2.1 |
| Completeness [%] | 98.3 | 94.5 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.15 M citric acid, 0.35 M magnesium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
