4H83
Crystal structure of Mandelate racemase/muconate lactonizing enzyme (EFI target:502127)
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 | 2012-04-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.983, 102.950, 234.431 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.131 - 2.094 |
| R-factor | 0.1501 |
| Rwork | 0.147 |
| R-free | 0.20440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3no1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.349 |
| Data reduction software | DENZO |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.091 | 0.920 |
| Number of reflections | 113134 | |
| <I/σ(I)> | 24 | 2.5 |
| Completeness [%] | 87.9 | 78.8 |
| Redundancy | 10.5 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.1 M Sodium Citrate, 20% (w/v) PEG 4000, 5% (v/v) 2-Propanol, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
