3T9P
Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme family protein from Roseovarius
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 | 2011-07-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 109.594, 91.362, 100.271 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.990 - 1.970 |
| R-factor | 0.1826 |
| Rwork | 0.181 |
| R-free | 0.21907 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t8q |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.179 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.059 | 0.233 |
| Number of reflections | 71641 | |
| <I/σ(I)> | 12.5 | 5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.9 | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M NaCL, 0.1M HEPES pH 7.5, 1.6M Ammonium Sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
