3U4F
Crystal structure of a mandelate racemase (muconate lactonizing enzyme family protein) from Roseovarius nubinhibens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 32 |
Unit cell lengths | 125.871, 125.871, 98.017 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.630 - 1.900 |
R-factor | 0.18164 |
Rwork | 0.180 |
R-free | 0.20676 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tcs |
RMSD bond length | 0.015 |
RMSD bond angle | 1.431 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.960 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.183 | 0.438 |
Number of reflections | 136764 | |
<I/σ(I)> | 7.8 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.3 | 11.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 273 | PEG3350, Tris ph 8.5, MgCl2, Guanidine, VAPOR DIFFUSION, SITTING DROP, temperature 273K |