4KEM
Crystal structure of a tartrate dehydratase from azospirillum, target efi-502395, with bound mg and a putative acrylate ion, ordered active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-06 |
| Detector | RAYONIX MX225HE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.167, 82.925, 103.266 |
| Unit cell angles | 90.00, 100.86, 90.00 |
Refinement procedure
| Resolution | 21.399 - 1.300 |
| R-factor | 0.1655 |
| Rwork | 0.164 |
| R-free | 0.18590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dw7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.229 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.110 | 0.596 |
| Number of reflections | 189451 | |
| <I/σ(I)> | 7.6 | 2.2 |
| Completeness [%] | 93.5 | 56.2 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | Protein (30 mM NaCl, 2% glycerol, 200 mM MesoTartrate); Reservoir (100 mM Hepes pH 7.6, 20 mM Mg, 20% PolyAcrylic Acid NaSalt 5100); Cryoprotection (reservoir + 20% glycerol), sitting drop vapor diffusion, temperature 298K, VAPOR DIFFUSION, SITTING DROP |
