2HZG
Crystal structure of predicted Mandelate racemase from Rhodobacter sphaeroides
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.74300 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.172, 117.727, 132.708 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.370 - 2.020 |
| R-factor | 0.15213 |
| Rwork | 0.150 |
| R-free | 0.19453 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.325 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.055 | 0.208 |
| Number of reflections | 60305 | |
| <I/σ(I)> | 16.1 | 7.1 |
| Completeness [%] | 93.2 | 59 |
| Redundancy | 13 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 1.6 M Tri-sodium citrate dihydrate pH 6.5, Vapor diffusion, Sitting drop, temperature 298K |
