2X67
The ternary complex of PrnB (the second enzyme in pyrrolnitrin biosynthesis pathway), tryptophan and cyanide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-17 |
Detector | RIGAKU CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 68.392, 79.441, 92.058 |
Unit cell angles | 90.00, 103.17, 90.00 |
Refinement procedure
Resolution | 29.840 - 2.160 |
R-factor | 0.16788 |
Rwork | 0.166 |
R-free | 0.21073 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v7j |
RMSD bond length | 0.014 |
RMSD bond angle | 1.371 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.200 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.100 | 0.460 |
Number of reflections | 24411 | |
<I/σ(I)> | 15.6 | 3.4 |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.4 | 0.1M BIS-TRIS BUFFER PH 6.4, 10% PEG3350, 0.2M MGSO4 |