1W05
Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-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 | 1997-03-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 101.770, 101.770, 115.680 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 87.710 - 2.460 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bk0 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.194 |
| Data reduction software | DENZO |
| Data scaling software | Agrovata |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.540 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.119 | 0.581 |
| Number of reflections | 104834 | |
| Completeness [%] | 97.0 | 100 |
| Redundancy | 3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1.0M LITHIUM SULPHATE, 76MM TRIS/HCL (PH8.5), pH 8.50 |
