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 |
