9W2E
Crystal structure of PenP E166R
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 | 2014-02-04 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.430, 77.780, 41.680 |
| Unit cell angles | 90.00, 107.60, 90.00 |
Refinement procedure
| Resolution | 33.840 - 1.930 |
| R-factor | 0.17626 |
| Rwork | 0.175 |
| R-free | 0.20665 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4blm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.329 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.730 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.048 | |
| Number of reflections | 18000 | 2569 |
| <I/σ(I)> | 29.5 | |
| Completeness [%] | 98.9 | |
| Redundancy | 7.3 | |
| CC(1/2) | 0.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1 M Tris, pH8.0, 22.5% PEG3350, and 0.4 M ammonium acetate |
