2X1E
The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum in complex 6- aminopenicillanic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-25 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 198.180, 68.380, 146.570 |
| Unit cell angles | 90.00, 128.81, 90.00 |
Refinement procedure
| Resolution | 33.630 - 2.000 |
| R-factor | 0.17791 |
| Rwork | 0.177 |
| R-free | 0.20184 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x1d |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.163 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.610 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.380 |
| Number of reflections | 102192 | |
| <I/σ(I)> | 15.29 | 3.8 |
| Completeness [%] | 98.9 | 98.3 |
| Redundancy | 3.77 | 3.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.9 | pH 6.9 |
