7LJ2

Structure of Exo-L-galactose-6-sulfatase BuS1_11 from Bacteroides uniformis in complex with neoporphyrabiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-07-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	89.670, 89.670, 267.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.790 - 2.400
R-factor	0.1848
Rwork	0.182
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lha
RMSD bond length	0.002
RMSD bond angle	0.553
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.102	0.492
Rpim	0.063	0.313
Number of reflections	42974	4494
<I/σ(I)>	7.7
Completeness [%]	98.6
Redundancy	3.3
CC(1/2)	0.991	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M HEPES (pH 7.5), 0.2 M MgCl2, 25% (w/v) PEG 3350