7AAJ

Human porphobilinogen deaminase in complex with cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	81.163, 84.608, 108.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.080 - 1.800
R-factor	0.2512
Rwork	0.249
R-free	0.29440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ecr
RMSD bond length	0.007
RMSD bond angle	0.826
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.080	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.095	3.763
Rmeas	0.102	4.028
Number of reflections	69757	6877
<I/σ(I)>	10.24	0.52
Completeness [%]	98.9
Redundancy	7.6	7.7
CC(1/2)	0.990	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	293	25% polyethylene glycol 3350, 200 mM ammonium citrate