6OUX
Structure of SMUL_1544, a decarboxylase from Sulfurospirillum multivorans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-08-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.530, 90.627, 70.867 |
| Unit cell angles | 90.00, 109.96, 90.00 |
Refinement procedure
| Resolution | 74.900 - 1.940 |
| R-factor | 0.19299 |
| Rwork | 0.190 |
| R-free | 0.25026 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lc8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.953 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.074 | 0.550 |
| Number of reflections | 55968 | 2950 |
| <I/σ(I)> | 16.1 | |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 100 mM Bis-(2-Hydroxyethyl) Amino-Tris(Hydroxymethyl) Methane (BIS-TRIS) (pH 6.0), 16% Poly(ethylene glycol) methyl ether 2,000 (MEPEG 2K), and 200 mM potassium glutamate |
