3U9I
The crystal structure of Mandelate racemase/muconate lactonizing enzyme from Roseiflexus sp.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-18 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 209.888, 209.888, 116.601 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.072 - 2.900 |
| R-factor | 0.2022 |
| Rwork | 0.199 |
| R-free | 0.25540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ik4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.935 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.154 | 0.670 |
| Number of reflections | 21881 | |
| <I/σ(I)> | 15.04 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.2 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.1 M bis-tris pH 5.5, 2.0 M Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
