2P5U
Crystal structure of Thermus thermophilus HB8 UDP-glucose 4-epimerase complex with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97243 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 250.922, 250.922, 121.036 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.850 - 2.370 |
Rwork | 0.235 |
R-free | 0.26100 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.463 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SGXPRO |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.450 |
High resolution limit [Å] | 2.370 | 5.100 | 2.370 |
Rmerge | 0.067 | 0.217 | |
Number of reflections | 90097 | ||
<I/σ(I)> | 19.1 | ||
Completeness [%] | 99.9 | 99.9 | 99.2 |
Redundancy | 18.5 | 17.7 | 17 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | USING 1 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (11.71 mg/ml) AND RESERVOIR SOLUTION CONTAINING 0.09M Tris-HCl pH 8.5, 0.63M tri-Sodium citrate , VAPOR DIFFUSION, SITTING DROP, temperature 293K |