3SN1
Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and tartrate
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 | 2010-08-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97958 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 104.932, 104.932, 145.145 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.1419 |
| Rwork | 0.141 |
| R-free | 0.16480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3go2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.266 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.103 | 0.051 | 0.710 |
| Number of reflections | 37795 | ||
| <I/σ(I)> | 23 | 4.5 | |
| Completeness [%] | 99.9 | 99.5 | 100 |
| Redundancy | 15.9 | 15.2 | 15.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.8 | 294 | 100mM sodium acetate pH 4.8, 2.4M sodium formate; pH adjusted to 7.0; soaked with 100mM MgCl2 and 2mM tartrate , VAPOR DIFFUSION, temperature 294K |
