3R09
Crystal structure of probable HAD family hydrolase from Pseudomonas fluorescens Pf-5 with bound Mg
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 98 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 66.299, 66.299, 251.290 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.053 - 2.200 |
R-factor | 0.1806 |
Rwork | 0.179 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m9l |
RMSD bond length | 0.006 |
RMSD bond angle | 0.925 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 17605 | |
<I/σ(I)> | 51.1 | 7.8 |
Completeness [%] | 99.6 | 98.5 |
Redundancy | 20.1 | 15.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 294 | Protein 10 mM HEPES pH 8.5, 150 mM Nacl, 10% glycerol, 5 mM DTT, 10 mM MgCl2, Reservoir (2.5 M NaK phosphate pH 5.0, 150 mM NaCitrate), Soak (1.5 M MgSO4, 200 mM MES pH 5.3, 20% glycerol, 10 min, vapor diffusion, sitting drop, temperature 294K, VAPOR DIFFUSION, SITTING DROP |