5HXM
Cycloalternan-forming enzyme from Listeria monocytogenes in complex with panose
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 | 166.157, 102.437, 74.011 |
Unit cell angles | 90.00, 103.78, 90.00 |
Refinement procedure
Resolution | 29.740 - 1.900 |
R-factor | 0.15433 |
Rwork | 0.152 |
R-free | 0.19495 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kmq |
RMSD bond length | 0.011 |
RMSD bond angle | 1.682 |
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 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.060 | 0.600 |
Number of reflections | 94486 | |
<I/σ(I)> | 20.6 | 2.1 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | Protein: 0.5 NaCl, 10 mM Tris pH 8.3, 5 mM BME Crystallization: 200 mM magnesium formate and 25% PEG 3350 Soak for 1 minute in reservoir + 5 mM panose |