6W2O

Crystal structure of uroporphyrinogen III decarboxylate (hemE) from Stenotrophomonas maltophilia

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	2020-02-13
Detector	RAYONIX MX300-HS
Wavelength(s)	.97872
Spacegroup name	P 31 2 1
Unit cell lengths	103.690, 103.690, 74.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.900 - 1.550
R-factor	0.1551
Rwork	0.154
R-free	0.17140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wsh
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18rc2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.900	44.900	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.059	0.032	0.527
Rmeas	0.066	0.036	0.582
Total number of observations	366930
Number of reflections	67246	797	4958
<I/σ(I)>	14.21	27.25	3.15
Completeness [%]	99.7	95.7	100
Redundancy	5.457	4.88	5.547
CC(1/2)	0.998	0.998	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	287	StmaA.01152.a.B1.PW38744 at 20.4 mg/mL against JCSG+ condition G11: 0.1 M BisTris pH 5.5, 2.0 M ammonium sulfate, supplemented with 20% ethylene glycol as cryo-protectant