6TB5
The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2005-12-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9537 |
Spacegroup name | P 2 3 |
Unit cell lengths | 88.830, 88.830, 88.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.090 - 1.830 |
R-factor | 0.1754 |
Rwork | 0.173 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c6r |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.610 | 1.870 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.120 | 1.530 |
Rmeas | 0.123 | |
Rpim | 0.028 | 0.410 |
Number of reflections | 20877 | 1294 |
<I/σ(I)> | 17.2 | 2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 19.6 | 14.8 |
CC(1/2) | 0.995 | 0.726 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M KCl, 0.01M MgCl2, 0.05M HEPES pH 7.0, 5% v/v PEG400 (NATRIX #35) |