5TEJ
Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Vibrio vulnificus with 2,5 Furan Dicarboxylic and NADH
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 | C 1 2 1 |
| Unit cell lengths | 127.059, 91.039, 125.922 |
| Unit cell angles | 90.00, 120.07, 90.00 |
Refinement procedure
| Resolution | 50.010 - 2.500 |
| R-factor | 0.1831 |
| Rwork | 0.182 |
| R-free | 0.21170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1arz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.639 |
| 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] | 50.010 | 50.000 | 2.530 |
| High resolution limit [Å] | 2.490 | 6.750 | 2.490 |
| Rmerge | 0.113 | 0.061 | 0.464 |
| Number of reflections | 43079 | ||
| <I/σ(I)> | 7.7 | 2.8 | |
| Completeness [%] | 100.0 | 99.7 | 99.5 |
| Redundancy | 4.2 | 4 | 3.5 |
| CC(1/2) | 0.996 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3,350 |
