3L2X

Crystal Structure of Spin Labeled T4 Lysozyme Mutant 115-119RX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-11-03
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	60.113, 60.113, 96.655
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.419 - 1.800
R-factor	0.187
Rwork	0.184
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c6t
RMSD bond length	0.006
RMSD bond angle	1.116
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.000	80.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Number of reflections	18829
<I/σ(I)>	12.3
Completeness [%]	97.4	99.8	80.9
Redundancy	9.3	9.7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	277	2.0M dibasic potassium phosphate and monobasic sodium phosphate, 0.25M sodium chloride, 0.04% sodium azide, saturated with bis(2-hydroxyethyl) disulfide, pH 6.4, vapor diffusion, hanging drop, temperature 277K