2BX7
Crystal structure of L. lactis dihydroorotate dehydrogense A in complex with 3,5-dihydroxybenzoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.710, 108.127, 66.216 |
Unit cell angles | 90.00, 104.06, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.040 |
R-factor | 0.187 |
Rwork | 0.184 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ovd |
RMSD bond length | 0.018 |
RMSD bond angle | 1.528 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.080 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.080 | 0.340 |
Number of reflections | 47526 | |
<I/σ(I)> | 21.5 | 6.3 |
Completeness [%] | 93.1 | 47.5 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | HANGING DROPS OF 2 MICROLITERS PROTEIN AND INHIBITOR (17 MG/ML PROTEIN AND 2.6 MM 3, 5-DIHYDROXYBENZOATE) AND 2 MIKROLITERS RESERVOIR. DROPS WERE EQUILIBRATED OVER 1 ML RESERVOIR SOLUTION. RESERVOIR SOLUTION: 30 % PEG 6000, 1 MM DTT, 0.2 M SODIUM ACETATE AND 0.1 M TRIS-HCL, PH 8.8 |