4Z7I

Crystal structure of insulin regulated aminopeptidase in complex with ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	68.520, 256.350, 73.060
Unit cell angles	90.00, 111.58, 90.00

Refinement procedure

Resolution	128.180 - 3.310
R-factor	0.214
Rwork	0.211
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p8q
RMSD bond length	0.004
RMSD bond angle	0.991
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	128.200	3.400
High resolution limit [Å]	3.310	3.310
Rmerge	0.076	0.329
Number of reflections	34796
<I/σ(I)>	20.1	2.5
Completeness [%]	99.9	100
Redundancy	13.8	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	10% PEG 20000, 20% PEG 500 monomethyl ether, 0.2 M D-glucose, 0.2M D-mannose, 0.2M D-galactose, 0.2M L-fucose, 0.2M D-xylose, 0.2M N-acetyl-D-glucosamine, bicine, Tris