7LRN
Structure of the Siderophore Interacting Protein from Acinetbacter baumannii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979100 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 86.790, 127.252, 150.304 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.150 - 2.850 |
R-factor | 0.2205 |
Rwork | 0.218 |
R-free | 0.26390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gpj |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | BALBES |
Refinement software | PHENIX (1.19.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 150.300 | 150.300 | 3.000 |
High resolution limit [Å] | 2.850 | 9.010 | 2.850 |
Rmerge | 0.177 | 0.049 | 2.467 |
Rmeas | 0.191 | 0.054 | 2.652 |
Rpim | 0.070 | 0.020 | 0.963 |
Total number of observations | 145243 | 4646 | 21131 |
Number of reflections | 19818 | 699 | 2832 |
<I/σ(I)> | 7.6 | 24.9 | 0.8 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.3 | 6.6 | 7.5 |
CC(1/2) | 0.997 | 0.999 | 0.321 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | 1.6 M ammonium sulfate, 0.1 M NaCl, 5 % PEG 400, and 0.1 M HEPES-Na pH 7.5 at 17.5 mg/mL of BauF. |