3E4D
Structural and Kinetic Study of an S-Formylglutathione Hydrolase from Agrobacterium tumefaciens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 68.433, 68.949, 95.648 |
Unit cell angles | 92.41, 99.79, 98.47 |
Refinement procedure
Resolution | 25.000 - 2.010 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB code 1PV1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.207 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MrBUMP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.400 | 2.090 |
High resolution limit [Å] | 2.010 | 2.020 |
Rmerge | 0.058 | 0.288 |
Number of reflections | 106354 | |
<I/σ(I)> | 23.2 | 4.3 |
Completeness [%] | 95.0 | 80 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG 3350, MgCl2, Bis-Tris buffer, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |