4RV7
Characterization of an essential diadenylate cyclase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-29 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.77318 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 130.680, 130.680, 178.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.864 - 2.800 |
R-factor | 0.2407 |
Rwork | 0.240 |
R-free | 0.25620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fb5 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.889 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.940 |
High resolution limit [Å] | 2.800 | 17.000 | 2.800 |
Rmerge | 0.051 | 0.016 | 0.681 |
Number of reflections | 38360 | 190 | 5240 |
<I/σ(I)> | 24.42 | 70 | 2.74 |
Completeness [%] | 99.0 | 86.8 | 99.7 |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 6-16 % 1,6 Hexanediol, 2 mM Spermine, 20 mM MgCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |