4MDZ
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 | 2013-02-18 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 70.190, 183.010, 233.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.540 - 2.680 |
R-factor | 0.18594 |
Rwork | 0.184 |
R-free | 0.22780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mcw |
RMSD bond length | 0.013 |
RMSD bond angle | 1.717 |
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] | 66.000 | 2.750 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmerge | 0.077 | 0.680 |
Number of reflections | 42290 | |
<I/σ(I)> | 14.3 | 1.9 |
Completeness [%] | 99.4 | 99.6 |
Redundancy | 4.1 |
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 |