7KZ8

Crystal structure of substrate-binding protein Aapf from Pseudomonas sp. PDC86

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	62.252, 41.961, 93.143
Unit cell angles	90.00, 99.55, 90.00

Refinement procedure

Resolution	47.530 - 2.200
R-factor	0.2202
Rwork	0.218
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uqw
RMSD bond length	0.017
RMSD bond angle	1.293
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.530	47.530	2.340
High resolution limit [Å]	2.200	6.550	2.200
Rmerge	0.150	0.047	0.882
Rmeas	0.173	0.054	1.022
Total number of observations	97033
Number of reflections	23962	983	3727
<I/σ(I)>	6.93	20.23	1.45
Completeness [%]	98.1	98	95.5
Redundancy	4.049	4.243	4.03
CC(1/2)	0.989	0.994	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	298	0.1 M Bis-Tris (pH 6.5), and 2.6 M Ammonium sulfate