5C1E
Crystal Structure of the Pectin Methylesterase from Aspergillus niger in Penultimately Deglycosylated Form (N-acetylglucosamine Stub at Asn84)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 123 |
Detector technology | IMAGE PLATE |
Collection date | 2013-11-04 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.614, 113.543, 88.765 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.160 - 1.750 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xg2 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.305 |
Data reduction software | CrystalClear |
Data scaling software | d*TREK |
Phasing software | MrBUMP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.160 | 1.800 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.084 | 0.366 |
Number of reflections | 36656 | |
<I/σ(I)> | 4.5 | 3.1 |
Completeness [%] | 95.6 | 89.6 |
Redundancy | 3.94 | 3.71 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.6 | 294 | Protein (6.5 mg/mL) in 50-100 mM acetate buffer mixed 1:1 with 1.9 M ammonium sulfate, 100 mM sodium acetate, pH 3.6 |