1UK9
Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with isovalerate
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 | 2002-10-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 77.383, 116.134, 78.612 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.524 - 1.800 |
R-factor | 0.171 |
Rwork | 0.171 |
R-free | 0.19900 |
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] | 27.570 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 32978 | |
<I/σ(I)> | 9.2 | 3.1 |
Completeness [%] | 99.5 | 98.8 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 283 | PEG4000, AMMONIUM isovalerate, SODIUM isovalerate, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 283K |