4ALB
Structure of Phenolic Acid Decarboxylase from Bacillus subtilis: Tyr19Ala mutant in complex with coumaric acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2010-10-23 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 107.210, 107.210, 92.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 92.850 - 3.030 |
| R-factor | 0.20436 |
| Rwork | 0.202 |
| R-free | 0.26320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB MODEL 2P8G |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.440 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.600 | 3.100 |
| High resolution limit [Å] | 3.020 | 3.020 |
| Rmerge | 0.110 | 0.860 |
| Number of reflections | 12362 | |
| <I/σ(I)> | 21.4 | 3.3 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 10.8 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 0.2 M KSCN, 17% (W/V) PEG 1000, 17% (W/V) PEG 8000, IN 0.1 M TRIS/HCL BUFFER AT PH 9. 15 MM COUMARIC ACID. PROTEIN AT 20 MG PER ML |
