2P5Y
Crystal structure of Thermus thermophilus HB8 UDP-glucose 4-epimerase complex with NAD
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97928 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 135.667, 135.667, 135.667 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.920 |
R-factor | 0.192 |
Rwork | 0.191 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p5u |
RMSD bond length | 0.011 |
RMSD bond angle | 1.282 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.990 |
High resolution limit [Å] | 1.920 | 4.140 | 1.920 |
Rmerge | 0.046 | 0.312 | |
Number of reflections | 33164 | ||
<I/σ(I)> | 15.2 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 42.4 | 38.4 | 41.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | USING 1 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (11.71 mg/ml) AND RESERVOIR SOLUTION CONTAINING 1.0M Magnesium sulfate, 0.1M Sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |