6IOZ

Structural insights of idursulfase beta

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 31 1 2
Unit cell lengths	70.825, 70.825, 285.697
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.616 - 3.100
R-factor	0.1996
Rwork	0.197
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fql
RMSD bond length	0.004
RMSD bond angle	0.787
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.149	0.099	0.316
Rmeas	0.158	0.104	0.363
Rpim	0.049	0.030	0.168
Number of reflections	12919	848	412
<I/σ(I)>	9
Completeness [%]	83.2	97.7	56.1
Redundancy	6.6	11.4	2.6
CC(1/2)		0.994	0.328

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.0 M LiCl 0.1M MES (pH 6.0) 20% w/v PEG 6K