4R8Z
Crystal Structure of PA4781 HD-GYP domain from Pseudomonas aeruginosa at 2.2A resolution showing a bi-metallic Ni ion center
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 41 |
| Unit cell lengths | 93.984, 93.984, 78.469 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.990 - 2.200 |
| R-factor | 0.1787 |
| Rwork | 0.177 |
| R-free | 0.21270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.816 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.29) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.990 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.256 | 0.016 |
| Total number of observations | 46360 | |
| Number of reflections | 34840 | |
| <I/σ(I)> | 9.9 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 15.3 | 15.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | cacodilate 0.1M pH 6.5, KSCN 0.25M, KBr 0.2M, PEG 20K 3%, PGA 3%, cryo 20% glycerol, vapor diffusion, hanging drop, temperature 294K |
