1XEP

Catechol in complex with T4 lysozyme L99A/M102Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	174
Detector technology	IMAGE PLATE
Collection date	2004-04-03
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	60.173, 60.173, 96.564
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 1.550
Rwork	0.188
R-free	0.21900
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.610
High resolution limit [Å]	1.550	1.550
Number of reflections	29343
Completeness [%]	97.7	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	phosphate, pH 6.8-7.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K