2WSJ
Crystal Structure of single point mutant Glu71Ser p-coumaric Acid Decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-05-20 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.811, 52.756, 82.095 |
| Unit cell angles | 90.00, 122.44, 90.00 |
Refinement procedure
| Resolution | 22.960 - 2.240 |
| R-factor | 0.18198 |
| Rwork | 0.178 |
| R-free | 0.25898 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w2a |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.198 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 2.330 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.070 | 0.220 |
| Number of reflections | 12774 | |
| <I/σ(I)> | 17.5 | 6.9 |
| Completeness [%] | 65.0 | 65 |
| Redundancy | 4.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 20%(W/V) PEG 4K 12%(V/V) ISOPROPANOL 0.2 M SODIUM ACETATE 0.1 M TRIS-HCL PH 8 0.1 M BARIUM CHLORIDE |
