3SB6

Cu-mediated Dimer of T4 Lysozyme D61H/K65H/R76H/R80H by Synthetic Symmetrization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-06-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	60.040, 69.840, 89.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.2301
Rwork	0.226
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.940
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		2.770
High resolution limit [Å]	2.700	12.080	2.700
Rmerge	0.091	0.034	0.553
Number of reflections	10710	110	781
<I/σ(I)>	15.84	40.69	3.41
Completeness [%]	99.5	74.3	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	0.2M Ammonium Nitrate, 20% PEG 3350, vapor diffusion, hanging drop, temperature 290K