5C8P

Crystal structure of MoCVNH3 variant (Mo0v) in complex with (N-GlcNAc)3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-02
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	36.747, 50.598, 43.609
Unit cell angles	90.00, 109.86, 90.00

Refinement procedure

Resolution	41.020 - 2.200
R-factor	0.23731
Rwork	0.232
R-free	0.28043
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l5b 1y7m
RMSD bond length	0.008
RMSD bond angle	1.196
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0044)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.020	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.073	0.234
Number of reflections	7630
<I/σ(I)>	13	3.5
Completeness [%]	98.7	99.9
Redundancy	4.69	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	~8-10 % (w/v) PEG 3350, 0.1 M sodium phosphate-citrate buffer, pH 4.2, 0.2 M NaCl