2GGE
Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme from Bacillus Subtilis complexed with MG++ at 1.8 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-09 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 112.417, 110.654, 129.308 |
Unit cell angles | 90.00, 105.77, 90.00 |
Refinement procedure
Resolution | 27.950 - 1.890 |
R-factor | 0.192 |
Rwork | 0.189 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1muc |
RMSD bond length | 0.022 |
RMSD bond angle | 1.870 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.948 | 1.980 |
High resolution limit [Å] | 1.884 | 1.880 |
Rmerge | 0.127 | 0.016 |
Total number of observations | 68827 | |
Number of reflections | 213305 | 24866 |
<I/σ(I)> | 5 | 0.4 |
Completeness [%] | 86.8 | 69.6 |
Redundancy | 3.2 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 100mM Bis-Tris, pH 5.5, 15% PEG 3350, 200mM Magnesium Chloride, VAPOR DIFFUSION, SITTING DROP, temperature 294K |