2X66
The binary complex of PrnB (the second enzyme in pyrrolnitrin biosynthesis pathway) 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 | 2008-04-08 |
Detector | RIGAKU CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 68.364, 79.305, 91.752 |
Unit cell angles | 90.00, 102.90, 90.00 |
Refinement procedure
Resolution | 25.580 - 2.090 |
R-factor | 0.17809 |
Rwork | 0.176 |
R-free | 0.22194 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v7j |
RMSD bond length | 0.014 |
RMSD bond angle | 1.320 |
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] | 26.000 | 2.140 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.100 | 0.420 |
Number of reflections | 27803 | |
<I/σ(I)> | 13 | 2.2 |
Completeness [%] | 98.2 | 94 |
Redundancy | 2.4 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.4 | 0.1M BIS-TRIS BUFFER PH 6.4, 10% PEG3350, 0.2M MGSO4 |