7CCZ

Crystal structure of the ES2 intermediate form of human hydroxymethylbilane synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-10
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	81.454, 79.542, 108.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.870 - 1.790
R-factor	0.2004
Rwork	0.198
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ecr
RMSD bond length	0.010
RMSD bond angle	1.217
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	1.900
High resolution limit [Å]	1.790	1.790
Number of reflections	66546	20529
<I/σ(I)>	9.33	1.3
Completeness [%]	99.8	99.2
Redundancy	3.4	3.4
CC(1/2)	0.998	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	293	PEG 3350, diammonium hydrogen citrate, dithiothreitol