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 |
