4YTS
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy 3-keto D-galactitol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-24 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.503, 126.733, 99.520 |
Unit cell angles | 90.00, 101.89, 90.00 |
Refinement procedure
Resolution | 32.460 - 2.140 |
R-factor | 0.209 |
Rwork | 0.203 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qul |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | SCALEPACK |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.140 | 5.810 | 2.140 |
Rmerge | 0.130 | 0.112 | 0.390 |
Total number of observations | 218327 | ||
Number of reflections | 67876 | ||
<I/σ(I)> | 10.3 | ||
Completeness [%] | 96.3 | 96.9 | 99.3 |
Redundancy | 3.2 | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 6-9 % PEG4000, 0.1 M Sodium acetate |