5GPA
Structural analysis of fatty acid degradation regulator FadR from Bacillus halodurans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97933 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 56.393, 56.393, 199.607 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.685 - 2.051 |
R-factor | 0.2066 |
Rwork | 0.204 |
R-free | 0.26090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5gp9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.117 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
Rmerge | 0.067 | 0.045 | 0.521 |
Rmeas | 0.071 | 0.048 | 0.548 |
Rpim | 0.022 | 0.017 | 0.166 |
Total number of observations | 249225 | ||
Number of reflections | 24026 | ||
<I/σ(I)> | 13.8 | ||
Completeness [%] | 99.6 | 92.8 | 100 |
Redundancy | 10.4 | 8.1 | 10.7 |
CC(1/2) | 0.998 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 296 | Tris HCl, MgCl2, PEG 3350 |