4IGV
Crystal structure of kirola (Act d 11)
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 | 2009-06-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 71.781, 71.781, 113.817 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.500 |
R-factor | 0.17112 |
Rwork | 0.169 |
R-free | 0.20336 |
Structure solution method | SAD |
RMSD bond length | 0.020 |
RMSD bond angle | 1.663 |
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 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.052 | 0.538 |
Number of reflections | 28517 | |
<I/σ(I)> | 30.8 | 2.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 293 | 0.1 M Bis-Tris, 0.2 M magnesium chloride, 0.5% deoxycholate, 24% w/v PEG3350, pH 5.75, VAPOR DIFFUSION, HANGING DROP, temperature 293K |