5HJH
Dps4 from Nostoc punctiforme in complex with Fe ions
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 | 2015-02-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97240 |
Spacegroup name | P 63 |
Unit cell lengths | 100.310, 100.310, 145.650 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.422 - 1.880 |
R-factor | 0.1586 |
Rwork | 0.158 |
R-free | 0.19310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hjf |
RMSD bond length | 0.007 |
RMSD bond angle | 0.955 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.2) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.550 | 48.550 | 1.950 |
High resolution limit [Å] | 1.880 | 7.280 | 1.880 |
Rmerge | 0.066 | 0.068 | 0.993 |
Rpim | 0.035 | 0.037 | 0.529 |
Total number of observations | 288333 | 4536 | 28591 |
Number of reflections | 67029 | ||
<I/σ(I)> | 12.3 | 34.9 | 1.7 |
Completeness [%] | 99.6 | 98 | 99 |
Redundancy | 4.3 | 3.9 | 4.4 |
CC(1/2) | 0.997 | 0.993 | 0.673 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 25% SOKALAN HP 66, 0.1 M HEPES pH 7.0 and 0.2 M NaOAc |