3K2R

Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-02-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	59.547, 59.547, 95.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.248 - 1.500
R-factor	0.198
Rwork	0.197
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lzm
RMSD bond length	0.007
RMSD bond angle	1.160
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.058	0.368
Number of reflections	30957
<I/σ(I)>	20.4	2.16
Completeness [%]	96.8	76.2
Redundancy	5.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.2M dibasic potassium phosphate and monobasic sodium phosphate, 0.15M sodium chloride, 100mM 1,6 hexanediol, pH 7.0, vapor diffusion, hanging drop, temperature 293K