4OBR

Crystal structure of human alpha-L-iduronidase complex with alpha-L-iduronic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-03
Detector	RAYONIX MX300HE
Wavelength(s)	0.97940
Spacegroup name	H 3
Unit cell lengths	258.940, 258.940, 71.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.940 - 2.460
R-factor	0.20418
Rwork	0.202
R-free	0.23929
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mj2
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.940	2.524
High resolution limit [Å]	2.460	2.460
Number of reflections	63496
<I/σ(I)>	12.89	3.43
Completeness [%]	97.8	82.8
Redundancy	3.6	2.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.01 M HEPES, pH 7.5, 0.26 M sodium potassium tartrate, 20% PEG3350, 50 mM ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K