1IUN
meta-Cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) S103A mutant hexagonal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-18B |
Synchrotron site | Photon Factory |
Beamline | BL-18B |
Temperature [K] | 100 |
Detector technology | DIFFRACTOMETER |
Collection date | 1999-11-04 |
Detector | WEISSENBERG |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 98.797, 98.797, 149.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.800 * - 2.800 |
R-factor | 0.1988 |
Rwork | 0.196 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c4x |
RMSD bond length | 0.006 |
RMSD bond angle | 22.600 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.095 | 0.299 |
Total number of observations | 128777 * | |
Number of reflections | 21101 * | |
<I/σ(I)> | 13.5 | 3.2 |
Completeness [%] | 98.7 | 97.1 |
Redundancy | 6.1 | 3.7 |
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 | 15 (%) | |
3 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
4 | 1 | reservoir | sodium acetate | 0.1 (M) | pH3.8 |