2AAL
Crystal Structures of the Wild-type, Mutant-P1A and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-04 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 |
| Unit cell lengths | 51.889, 51.889, 219.083 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 72.550 - 1.650 |
| R-factor | 0.18641 |
| Rwork | 0.184 |
| R-free | 0.23867 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | wild-type MSAD |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.485 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.550 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.144 | 0.413 |
| Number of reflections | 86122 | |
| <I/σ(I)> | 3.5 | 2.2 |
| Completeness [%] | 98.8 | 96.5 |
| Redundancy | 5.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 61.5% (v/v) MPD, 100 mM Tris-Cl buffer (pH 7.5), VAPOR DIFFUSION, SITTING DROP, temperature 298K |
