1BJP
CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY 2-OXO-3-PENTYNOATE AT 2.4 ANGSTROMS RESOLUTION
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1997-04 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | H 3 2 |
Unit cell lengths | 78.700, 78.700, 314.600 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.000 - 2.400 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2.3 ANGSTROM RESOLUTION STRUCTURE OF NATIVE 4-OXALOCROTONATE TAUTOMERASE FROM PSEUDOMONAS PUTIDA MT-2 |
RMSD bond length | 0.017 |
RMSD bond angle | 26.600 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.156 * | |
Total number of observations | 248309 * | |
Number of reflections | 15183 | |
<I/σ(I)> | 12 | 6.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.4 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.4 * | 4 * | 5 microlitter of drop solution was mixed with 5 microlitter precipitant * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 25 (mg/ml) | |
2 | 1 | drop | sodium phosphate | 50 (mM) | |
3 | 1 | reservoir | PEG8000 | 14 (%) | precipitant |
4 | 1 | reservoir | sodium phosphate | 50 (mM) | precipitant |