2C13
5-hydroxy-levulinic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-01-31 |
Detector | RIGAKU-MSC R-AXIS IV |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 126.314, 126.314, 85.481 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.800 - 2.150 |
R-factor | 0.155 |
Rwork | 0.152 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b4k |
RMSD bond length | 0.017 |
RMSD bond angle | 1.696 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.200 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.130 | 0.460 |
Number of reflections | 37881 | |
<I/σ(I)> | 16.7 | 4.9 |
Completeness [%] | 99.5 | 99.2 |
Redundancy | 11 | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | HANGING DROP IN 24-WELL LIMBRO PLATES.DROPS MADE OF 5 MICROL PROTEIN SOLUTION (10 MG/ML PROTEIN, 0.05 M TRIS-HCL, PH 7.5, 0.005 M MGCL2, 0.01 M 5-OH-4-OXO-PENTANOIC ACID SODIUM SALT PLUS 5 MICROL RESERVOIR SOLUTION 9.0 % (W/V) PEG-4000, 0.180 M KCL, 0.009 M CACL2, 0.05 M NA-CACODYLATE PH 6.0 |