6TEK
Structure of siderophore interaction domain of IrtAB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.070, 111.700, 52.200 |
Unit cell angles | 90.00, 119.76, 90.00 |
Refinement procedure
Resolution | 45.320 - 1.800 |
R-factor | 0.2242 |
Rwork | 0.223 |
R-free | 0.25450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gpj |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.320 | 45.320 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.101 | 0.038 | 0.634 |
Rmeas | 0.111 | 0.042 | 0.695 |
Total number of observations | 282913 | ||
Number of reflections | 45656 | 532 | 3418 |
<I/σ(I)> | 11.44 | 32.79 | 2.9 |
Completeness [%] | 95.0 | 93.2 | 97 |
Redundancy | 6.197 | 6.291 | 5.912 |
CC(1/2) | 0.996 | 0.999 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 297 | 400 mM Ammonium-Acetate, 12 % (v/v) PEG 2000 |