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 |