2Y0E
BceC and the final step of UGDs reaction
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 97.631, 108.933, 187.708 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.689 - 1.750 |
R-factor | 0.1649 |
Rwork | 0.163 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PRELIMINARY (MAINLY POLY-ALA) MODEL OF SPHINGOMONAS ELODEA UGD (SEE REFERENCE 2 IN REMARK 1) |
RMSD bond length | 0.012 |
RMSD bond angle | 1.398 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.560 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.070 | 0.320 |
Number of reflections | 197721 | |
<I/σ(I)> | 6.7 | 2 |
Completeness [%] | 98.4 | 99.7 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | AT 293 K UPON VAPOR DIFFUSION OF SITTING DROPS OF 1 MICRO-LITER PROTEIN SOLUTION (5 MG/ML PROTEIN, 25 MM TRIS-HCL PH 8.3, 50 MM NACL, 2.5 MM DTT, 0.25 MM UDP-GLCA, AND 0.5 MM OXIDIZED NAD), AND 1 MICRO-LITER WELL SOLUTION (200 MM AMMONIUM SULPHATE, 100 MM SODIUM ACETATE PH 4.5, 11 % (W/V) PEG 4K, AND 50 MM NAF), EQUILIBRATED AGAINST 500 MICRO-LITER PRECIPITATION SOLUTION IN THE WELL. |