6HRH

Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	125.771, 107.703, 75.713
Unit cell angles	90.00, 109.05, 90.00

Refinement procedure

Resolution	71.530 - 2.300
R-factor	0.2142
Rwork	0.213
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bwn
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.530	71.530	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.088	0.031	0.705
Number of reflections	40141
<I/σ(I)>	5.8	19.5	1
Completeness [%]	94.8	93.4	95
Redundancy	2.3	2.3	2.3
CC(1/2)	0.994	0.995	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1M bis-tris pH 6.7, 25% PEG3350, 0.3M magnesium chloride