4JJ9
Crystal Structure of 5-carboxymethyl-2-hydroxymuconate delta-isomerase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.345, 75.481, 107.645 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.760 |
R-factor | 0.21293 |
Rwork | 0.212 |
R-free | 0.23438 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.066 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.820 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.099 | 0.308 |
Number of reflections | 48870 | |
<I/σ(I)> | 18.1 | |
Completeness [%] | 99.2 | 94.5 |
Redundancy | 14 | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25% PEG 3350, 0.2M Ammonium Sulfate, 0.1M Bis Tris, Glycerol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |