5C8Q

Crystal structure of MoCVNH3 variant (Mo0v) in complex with (N-GlcNAc)4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-03
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	36.720, 50.277, 43.132
Unit cell angles	90.00, 103.53, 90.00

Refinement procedure

Resolution	41.940 - 1.900
R-factor	0.22677
Rwork	0.224
R-free	0.25583
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l5b 1y7m
RMSD bond length	0.012
RMSD bond angle	1.409
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]	41.940	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.098	0.257
Number of reflections	11980
<I/σ(I)>	9	2.2
Completeness [%]	98.7	97
Redundancy	4.03	2.51

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