5I0D
Cycloalternan-forming enzyme from Listeria monocytogenes in complex with cycloalternan
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 | 2014-08-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 74.753, 101.233, 166.391 |
| Unit cell angles | 90.00, 101.02, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.770 |
| R-factor | 0.1454 |
| Rwork | 0.144 |
| R-free | 0.17086 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kwu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.451 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.096 | 0.638 |
| Number of reflections | 233478 | |
| <I/σ(I)> | 14 | 2.1 |
| Completeness [%] | 98.6 | 94.8 |
| Redundancy | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein: 0.5 NaCl, 10 mM Tris pH 8.3, 5 mM BME Condition: 200 mM magnesium formate and 25% PEG 3350 Soak in mother liquor supplemented with 100 mM cycloalternan |
