4M6U
P. putida mandelate racemase co-crystallized with tartronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 149.350, 149.350, 177.752 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.380 - 1.800 |
| R-factor | 0.14784 |
| Rwork | 0.147 |
| R-free | 0.17073 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mnr |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.754 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.073 | 0.376 |
| Number of reflections | 90212 | |
| <I/σ(I)> | 29.5 | 5 |
| Completeness [%] | 98.8 | 99.8 |
| Redundancy | 10.1 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 14% (w/v) PEG 1500, 100 mM glycine, 100 mM Triethanolamine (pH 8.5), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
