6WNG

Crystal structure of an aspartate ammonia-lyase from Elizabethkingia anophelis NUHP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-20
Detector	RAYONIX MX300HE
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	92.820, 96.850, 212.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.060 - 1.550
R-factor	0.134
Rwork	0.134
R-free	0.15270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oce
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.060	46.060	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.077	0.033	0.499
Rmeas	0.085	0.036	0.548
Total number of observations	1667799
Number of reflections	275981	3324	20249
<I/σ(I)>	14.36	30.79	3.53
Completeness [%]	99.9	98.1	100
Redundancy	6.043	5.788	5.988
CC(1/2)	0.998	0.998	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	ElanA.00047.a.B1.PW38143 at 13.07 mg/mL with 2.5 mM aspartic acid against JCSG+ screen condition D1 25% PEG 1500, 20% glycerol, unique puck ID aue0-7, crystal tracking ID 314597d1