6BWC
X-ray structure of Pen from Bacillus thuringiensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-06 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.524, 141.876, 93.244 |
| Unit cell angles | 90.00, 111.66, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.20395 |
| Rwork | 0.201 |
| R-free | 0.25120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gn4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.733 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.660 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.094 | 0.301 |
| Number of reflections | 55673 | 5327 |
| <I/σ(I)> | 9.8 | 2.4 |
| Completeness [%] | 90.7 | 84.1 |
| Redundancy | 5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 2.2-2.5 M ammonium sulfate, 100 mM HEPES, 5 mM UDP-GlcNAc |
