2VBD
Isopenicillin N synthase with substrate analogue L,L,L-ACOMP (unexposed)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-03-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.537, 71.314, 100.651 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.220 - 2.000 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bk0 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.798 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.170 | 2.100 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.090 | 0.270 |
| Number of reflections | 23160 | |
| <I/σ(I)> | 19.5 | 7.4 |
| Completeness [%] | 97.7 | 85.9 |
| Redundancy | 6.6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1.0M LITHIUM SULPHATE, 76MM TRIS/HCL, PH 8.5, 2.0MM FERROUS SULPHATE, 2.6MG/ML TRIPEPTIDE, 25MG/ML IPNS |
