7AAK

Human porphobilinogen deaminase R173W mutant crystallized in the ES2 intermediate state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	81.241, 86.127, 107.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.100 - 1.700
R-factor	0.1841
Rwork	0.183
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292107576
RMSD bond length	0.007
RMSD bond angle	0.881
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.100	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.068	1.560
Rmeas	0.074	1.690
Number of reflections	83105	8199
<I/σ(I)>	15.48	1.62
Completeness [%]	99.5
Redundancy	6.6	6.8
CC(1/2)	1.000	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	293	polyethylene glycol 3350, ammonium citrate