2BJS
Isopenicillin N synthase C-terminal truncation mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-12-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.149, 71.126, 100.991 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.120 - 1.300 |
| R-factor | 0.14 |
| Rwork | 0.139 |
| R-free | 0.16400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bk0 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.246 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.460 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.060 | 0.310 |
| Number of reflections | 82674 | |
| <I/σ(I)> | 14.6 | 4.3 |
| Completeness [%] | 98.4 | 97.7 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1.0M LITHIUM SULPHATE, 76MM TRIS/HCL (PH8.5), pH 8.50 |
