5WPZ
Crystal structure of MNDA PYD with MBP tag
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 192.150, 235.610, 73.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.361 - 2.000 |
| R-factor | 0.223 |
| Rwork | 0.221 |
| R-free | 0.26880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ifp |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.570 |
| 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 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 201859 | |
| <I/σ(I)> | 20.4 | 3.4 |
| Completeness [%] | 89.0 | 53.4 |
| Redundancy | 13.6 | 12.4 |
| CC(1/2) | 0.999 | 0.937 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 15% PEG 4000, 0.2M NH4Ac, 0.1M NaAc, pH 5.0 |
