7XUY
Crystal structure of 5-chloro-2-hydroxymuconate tautomerase CnbG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2007-12-11 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | H 3 2 |
Unit cell lengths | 81.407, 81.407, 63.678 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.840 - 2.001 |
Rwork | 0.178 |
R-free | 0.20070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4faz |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX (1.14_3260) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.260 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.049 | 0.524 |
Rmeas | 0.055 | 0.580 |
Number of reflections | 5614 | 409 |
<I/σ(I)> | 18.5 | 3.2 |
Completeness [%] | 99.9 | |
Redundancy | 5.4 | |
CC(1/2) | 0.997 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 310.15 | 2M (NH4)2SO4, 0.1 M Tris |