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. |
