5M7F

Human porphobilinogen deaminase in complex with DPM cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.972422
Spacegroup name	P 1 21 1
Unit cell lengths	70.420, 80.950, 76.220
Unit cell angles	90.00, 95.70, 90.00

Refinement procedure

Resolution	29.770 - 2.780
R-factor	0.222
Rwork	0.220
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ecr
RMSD bond length	0.010
RMSD bond angle	1.160
Data reduction software	XDS (VERSION May 1, 2016)
Data scaling software	Aimless (version 0.5.23)
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.950	2.830
High resolution limit [Å]	2.780	2.780
Rmerge	0.247	1.265
Number of reflections	21353
<I/σ(I)>	3.1	0.9
Completeness [%]	98.9	83.1
Redundancy	3.3	2.6
CC(1/2)	0.946	0.477

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	0.1 M sodium cacodylate pH 6.5, 0.2 M sodium chloride, 2 M ammonium sulphate