7U5Q
Crystal structure of transcriptional regulator, GntR family, from Brucella melitensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-07-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.320, 83.350, 116.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.850 - 3.000 |
R-factor | 0.1929 |
Rwork | 0.188 |
R-free | 0.23380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | RoseTTAfold model |
RMSD bond length | 0.004 |
RMSD bond angle | 0.664 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.080 |
High resolution limit [Å] | 3.000 | 13.420 | 3.000 |
Rmerge | 0.080 | 0.051 | 0.863 |
Rmeas | 0.087 | 0.056 | 0.941 |
Number of reflections | 15851 | 182 | 1170 |
<I/σ(I)> | 13.25 | 26.44 | 2.37 |
Completeness [%] | 99.2 | 84.3 | 100 |
Redundancy | 6.115 | 5.198 | 6.182 |
CC(1/2) | 0.998 | 0.998 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 287 | Molecular Dimensions / Calibre Morpheus screen condition B10 (10% w/v PEG8000, 20% v/v ethylene glycol, 30 mM sodium fluoride, 30 mM sodium bromide, 30 mM sodium iodide, 100 mM bicine/Trizma base, pH 8.5) + 30 mg/mL BrmeB.18158.b.B1.PS02075, tray 321296 b10 drop2, direct cryoprotection, puck: agh1-4 |