1IUP
meta-Cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) S103A mutant complexed with isobutyrates
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 | CCD |
| Collection date | 2001-05-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 77.350, 116.584, 78.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.720 - 1.600 |
| R-factor | 0.189 * |
| Rwork | 0.188 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c4x |
| RMSD bond length | 0.005 |
| RMSD bond angle | 22.800 * |
| 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] | 21.719 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.082 | 0.412 |
| Total number of observations | 187984 * | |
| Number of reflections | 47219 | |
| <I/σ(I)> | 7.3 | 1.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.9 | 5 * | PEG4000, ammonium isobutyrate, sodium isobutyrate, pH 3.9, 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 isobutyrate | 0.1 (M) | |
| 4 | 1 | reservoir | sodium isobutyrate | 0.1 (M) | pH3.9 |
