5JCT

Crystal Structure of Human Pirin in complex with a Chemical Probe pyrrolidine 24

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965
Spacegroup name	P 21 21 21
Unit cell lengths	42.148, 67.415, 107.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.920 - 1.730
R-factor	0.173
Rwork	0.171
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ewa
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.150
High resolution limit [Å]	1.730	1.730
Number of reflections	32524
<I/σ(I)>	10.7
Completeness [%]	99.6
Redundancy	4.7
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1M HEPES (pH7.5), 8% (v/v) Eythylene Glycol, 20% (w/v) PEG 8000