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 |