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 |