4ME4
Crystal structure of a HD-GYP domain (a cyclic-di-GMP phosphodiesterase) containing a tri-nuclear metal centre
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-06 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.090, 181.120, 231.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.000 - 2.550 |
| R-factor | 0.18641 |
| Rwork | 0.185 |
| R-free | 0.21767 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mcw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.423 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.000 | 2.620 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.086 | 0.680 |
| Number of reflections | 48066 | |
| <I/σ(I)> | 12.7 | 2.2 |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.9 M succinate pH 7, 2% PEG 2000, 0.1 M MES buffer pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
