2AAJ
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 | IMAGE PLATE |
Collection date | 2003-09-19 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 3 |
Unit cell lengths | 110.152, 110.152, 110.152 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.400 - 2.740 |
R-factor | 0.1641 |
Rwork | 0.161 |
R-free | 0.21330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | wildtype MSAD |
RMSD bond length | 0.021 |
RMSD bond angle | 1.923 |
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] | 29.400 | 2.860 |
High resolution limit [Å] | 2.740 | 2.740 |
Rmerge | 0.129 | 0.391 |
Number of reflections | 11976 | |
<I/σ(I)> | 9.2 | |
Completeness [%] | 99.4 | 98.7 |
Redundancy | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 2.8 M Li(CH3COO), 0.7 M (NH4)2SO4, and 100 mM sodium citrate buffer (pH 5.5), VAPOR DIFFUSION, SITTING DROP, temperature 298K |