2X68
The ternary complex of PrnB (the second enzyme in pyrrolnitrin biosynthesis pathway), 7-Cl-L-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 | 2008-05-30 |
| Detector | RIGAKU CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 68.427, 79.525, 92.303 |
| Unit cell angles | 90.00, 103.30, 90.00 |
Refinement procedure
| Resolution | 24.220 - 2.130 |
| R-factor | 0.16661 |
| Rwork | 0.165 |
| R-free | 0.19895 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v7j |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.283 |
| 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] | 24.000 | 2.170 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.080 | 0.280 |
| Number of reflections | 24910 | |
| <I/σ(I)> | 20 | 4.5 |
| Completeness [%] | 97.5 | 94.9 |
| Redundancy | 3.6 | 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 |
