5HUO
Crystal Structure of NadC Deletion Mutant in C2221 Space Group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 106.203, 186.261, 221.906 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.800 |
| R-factor | 0.21799 |
| Rwork | 0.216 |
| R-free | 0.25539 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hul |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.543 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.108 | 0.785 |
| Number of reflections | 54566 | |
| <I/σ(I)> | 14.6 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.4 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.4 | 293 | 20% PEG 6000, 0.1 M BIS-TRIS, 0.48 M Ammonium sulfate, 1.25 mM Sodium Bromide |
