5F7U
Cycloalternan-forming enzyme from Listeria monocytogenes in complex with pentasaccharide substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.222, 100.894, 71.812 |
| Unit cell angles | 90.00, 104.01, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.16085 |
| Rwork | 0.159 |
| R-free | 0.18997 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kmq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.379 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.067 | 0.568 |
| Number of reflections | 127612 | |
| <I/σ(I)> | 24.8 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300 | Crystallization condition: JCSG+ suite (Qiagen) A5: 200 mM Magnesium formate and 20% w/v PEG3350 Protein solution: 7.0 mg/mL in 10 mM Tris/HCl pH 8.3, 500 mM NaCl |
