5TEN
Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Vibrio vulnificus with 2,5 Furan Dicarboxylic and NADH with Intact Polyhistidine Tag
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.439, 117.545, 131.524 |
| Unit cell angles | 90.00, 92.19, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.450 |
| R-factor | 0.2243 |
| Rwork | 0.223 |
| R-free | 0.25530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1arz |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.864 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
| Rmerge | 0.131 | 0.051 | 0.723 |
| Number of reflections | 74404 | ||
| <I/σ(I)> | 6.1 | 2.1 | |
| Completeness [%] | 96.9 | 95.9 | 96.5 |
| Redundancy | 3.1 | 3.1 | 3 |
| CC(1/2) | 0.995 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100 mM HEPES pH 7, 1.26 M Ammonium Sulfate |
