1W03
Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200BH |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-02-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.770, 71.200, 100.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 11.990 - 2.100 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bk0 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.872 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.131 | 0.378 |
| Number of reflections | 20133 | |
| <I/σ(I)> | 5.1 | 3.6 |
| Completeness [%] | 98.2 | 87.3 |
| Redundancy | 3.36 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1.0M LITHIUM SULPHATE, 76MM TRIS/HCL (PH8.5), pH 8.50 |
