2Y6F
Isopenicillin N synthase with AC-D-S-methyl-3R-methylcysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX7.2 |
| Synchrotron site | SRS |
| Beamline | PX7.2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-04-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.396, 73.349, 102.476 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 11.970 - 1.790 |
| R-factor | 0.17763 |
| Rwork | 0.176 |
| R-free | 0.22008 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bk0 |
| RMSD bond length | 0.033 |
| RMSD bond angle | 1.883 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.890 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.120 | 0.290 |
| Number of reflections | 22362 | |
| <I/σ(I)> | 7.4 | 2.6 |
| Completeness [%] | 91.3 | 91.3 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1.0M LITHIUM SULPHATE, 76MM TRIS/HCL, PH 8.5, 2.0 MM FERROUS SULPHATE, 2.6MG/ML TRIPEPTIDE, 25MG/ML PROTEIN. |
