1W04
Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe-NO Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-06-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.652, 70.752, 100.973 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.740 - 1.280 |
| R-factor | 0.163 |
| Rwork | 0.162 |
| R-free | 0.17500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bk0 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.002 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.100 | 1.350 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.078 | 0.325 |
| Number of reflections | 79915 | |
| <I/σ(I)> | 10.8 | 3.2 |
| Completeness [%] | 92.6 | 85.3 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1.0M LITHIUM SULPHATE, 76MM TRIS/HCL (PH8.5), pH 8.50 |
