1UKA
Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with (S)-2-methylbutyrate
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 | 2002-03-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 77.019, 116.444, 78.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.376 - 1.700 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.19600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1iup |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.390 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 39097 | |
| <I/σ(I)> | 8.1 | 2.7 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 283 | PEG4000, AMMONIUM (S)-2-methylbutyrate, SODIUM (S)-2-methylbutyrate, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
