8SP4

Crystal structure of N-terminally truncated Escherichia coli RapA in complex with ATP-gamma-S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	180.213, 180.213, 61.031
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.948 - 2.401
R-factor	0.193
Rwork	0.192
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.550
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.490
High resolution limit [Å]	2.400	5.160	2.400
Rmerge	0.165	0.060	1.763
Rmeas		0.066	2.005
Rpim	0.085	0.028	0.938
Number of reflections	44138	4589	4245
<I/σ(I)>	6.6
Completeness [%]	99.0	99.5	96.6
Redundancy	4.6	5.5	4.2
CC(1/2)		0.997	0.309

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG3360, Ammonium Acetate