1IUO
meta-Cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) S103A mutant complexed with acetates
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-02-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.543, 116.619, 78.037 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.600 - 2.000 |
R-factor | 0.1759 |
Rwork | 0.174 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c4x |
RMSD bond length | 0.005 |
RMSD bond angle | 22.200 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.617 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.096 | 0.292 |
Total number of observations | 169080 * | |
Number of reflections | 23969 | |
<I/σ(I)> | 7.2 | 2.5 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7.1 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.8 | 5 * | PEG4000, ammonium acetate, sodium acetate, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5.0 (mg/ml) | |
2 | 1 | reservoir | PEG4000 | 20 (%) | |
3 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
4 | 1 | reservoir | sodium acetate | 0.1 (M) | pH3.8 |