2Q9D

Structure of spin-labeled T4 lysozyme mutant A41R1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-10
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1000
Spacegroup name	P 32 2 1
Unit cell lengths	59.808, 59.808, 94.895
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.400
R-factor	0.1517
Rwork	0.152
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lzm
RMSD bond length	0.012
RMSD bond angle	0.028
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	38697
<I/σ(I)>	23.4	5.3
Completeness [%]	98.4	97.4
Redundancy	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	294	2.0 M Na/K Phosphate, 240 mM NaCl, 40 mM 2-hydroxyethyl disulfide, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K