5HPO
Cycloalternan-forming enzyme from Listeria monocytogenes in complex with maltopentaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.646, 100.131, 73.281 |
| Unit cell angles | 90.00, 105.47, 90.00 |
Refinement procedure
| Resolution | 29.920 - 1.800 |
| R-factor | 0.13465 |
| Rwork | 0.133 |
| R-free | 0.16381 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kmq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.551 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.079 | 0.602 |
| Number of reflections | 103966 | |
| <I/σ(I)> | 17.37 | 2.7 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | Protein: 7.3 mg/mL in 500 mM NaCl, 10 mM Tris pH 8.3, 5 mM BME Crystallization: 200 mM magnesium formate and 25% PEG 3350 Soak: crystallization condition plus + 10 mM maltopentaose |
