4HUV

Crystal Structure of H2Db-NPM6W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-12-17
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	86.280, 153.620, 80.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.140 - 2.500
R-factor	0.2114
Rwork	0.210
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cpl
RMSD bond length	0.010
RMSD bond angle	1.170
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Number of reflections	37663
<I/σ(I)>	15.95
Completeness [%]	95.0
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1M Tris HCl, 0.2M LiSO4, 25-30% PEG 8000, pH 8.5, vapor diffusion, hanging drop, temperature 298K