5WQ6
Crystal Structure of hMNDA-PYD with MBP tag
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.010, 186.200, 76.380 |
| Unit cell angles | 90.00, 89.78, 90.00 |
Refinement procedure
| Resolution | 48.168 - 1.648 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.21230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ifp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.804 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2481: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.648 | 1.648 |
| Number of reflections | 241934 | |
| <I/σ(I)> | 11.7 | 1.8 |
| Completeness [%] | 99.0 | 95.3 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.998 | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 15% PEG 8000, 0.2M NH4Ac, NaAc pH 5.0 |
