7DEK

Pseudomonas aeruginosa FK506-binding protein PaFkbA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	77.073, 94.223, 117.437
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.540 - 2.900
R-factor	0.2493
Rwork	0.246
R-free	0.28070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q6u
RMSD bond length	0.012
RMSD bond angle	1.590
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	19438	1904
<I/σ(I)>	2.154
Completeness [%]	99.8
Redundancy	8.6
CC(1/2)	0.992	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	0.1M Tris pH 8.0, 28% PEG 4000