1RR2
Propionibacterium shermanii transcarboxylase 5S subunit bound to 2-ketobutyric acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 95 |
Detector technology | IMAGE PLATE |
Collection date | 2003-06-09 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 96.172, 146.134, 78.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.290 - 2.000 |
R-factor | 0.1754 |
Rwork | 0.173 |
R-free | 0.20500 |
Structure solution method | Isomorphous replacement |
Starting model (for MR) | 1rqb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.084 | 0.233 |
Number of reflections | 32291 | |
<I/σ(I)> | 22 | 4.5 |
Completeness [%] | 85.5 | 71.8 |
Redundancy | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | PEG 4000, Tris , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |