A: SENSOR PROTEIN CPXA B: SENSOR PROTEIN CPXA C: SENSOR PROTEIN CPXA D: SENSOR PROTEIN CPXA E: SENSOR PROTEIN CPXA F: SENSOR PROTEIN CPXA hetero molecules
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.072 Å / Relative weight: 1
Reflection
Resolution: 3.65→47.92 Å / Num. obs: 31735 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 13.5 % / Biso Wilson estimate: 127.47 Å2 / Rmerge(I) obs: 0.1 / Net I/σ(I): 18.7
Reflection shell
Resolution: 3.65→3.85 Å / Redundancy: 13.9 % / Mean I/σ(I) obs: 1.9 / % possible all: 100
-
Processing
Software
Name
Version
Classification
BUSTER
2.10.0
refinement
XDS
datareduction
Aimless
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 3.65→47.92 Å / Cor.coef. Fo:Fc: 0.9394 / Cor.coef. Fo:Fc free: 0.9393 / Cross valid method: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.494 Details: IDEAL-DIST CONTACT TERM CONTACT SETUP. ALL ATOMS HAVE CCP4 ATOM TYPE FROM LIBRARY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2272
1599
5.04 %
RANDOM
Rwork
0.2106
-
-
-
obs
0.2115
31708
100 %
-
Displacement parameters
Biso mean: 188.25 Å2
Baniso -1
Baniso -2
Baniso -3
1-
8.4027 Å2
0 Å2
0 Å2
2-
-
20.8356 Å2
0 Å2
3-
-
-
-29.2383 Å2
Refinement step
Cycle: LAST / Resolution: 3.65→47.92 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
11897
0
96
0
11993
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.008
12195
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
0.96
16515
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
5805
SINUSOIDAL
2
X-RAY DIFFRACTION
t_incorr_chiral_ct
X-RAY DIFFRACTION
t_pseud_angle
X-RAY DIFFRACTION
t_trig_c_planes
363
HARMONIC
2
X-RAY DIFFRACTION
t_gen_planes
1768
HARMONIC
5
X-RAY DIFFRACTION
t_it
12195
HARMONIC
20
X-RAY DIFFRACTION
t_nbd
X-RAY DIFFRACTION
t_omega_torsion
2.5
X-RAY DIFFRACTION
t_other_torsion
2.98
X-RAY DIFFRACTION
t_improper_torsion
X-RAY DIFFRACTION
t_chiral_improper_torsion
1573
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_sum_occupancies
X-RAY DIFFRACTION
t_utility_distance
X-RAY DIFFRACTION
t_utility_angle
X-RAY DIFFRACTION
t_utility_torsion
X-RAY DIFFRACTION
t_ideal_dist_contact
13997
SEMIHARMONIC
4
LS refinement shell
Resolution: 3.65→3.77 Å / Total num. of bins used: 16
Rfactor
Num. reflection
% reflection
Rfree
0.2878
140
4.87 %
Rwork
0.2597
2732
-
all
0.2611
2872
-
obs
-
-
100 %
+
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