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 |