4WQQ
Structure of EPNH mutant of CEL-I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-12-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.290, 61.060, 80.700 |
Unit cell angles | 90.00, 109.39, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.700 |
R-factor | 0.15356 |
Rwork | 0.152 |
R-free | 0.19024 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wmy |
RMSD bond length | 0.019 |
RMSD bond angle | 1.800 |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.530 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.051 | 0.300 |
Number of reflections | 60007 | |
<I/σ(I)> | 15.9 | 3.9 |
Completeness [%] | 92.6 | 88.6 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 30% polyethyleneglycol 4000, 0.2 M magnesium acetate, 0.1 M sodium cacodylate. |