9FOU

Acetophenone carboxylase subunit epsilon ApcE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	84.410, 84.410, 398.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.780 - 2.700
R-factor	0.2224
Rwork	0.221
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.750
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.700	12.000	2.700
Rmerge	0.118	0.024	2.719
Rmeas	0.125	0.026	2.865
Number of reflections	40951	559	4082
<I/σ(I)>	13.64
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.999	1.000	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG 3350, BTP pH 7.0, NDSB-256