2Q9E

Structure of spin-labeled T4 lysozyme mutant S44R1

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	2002-06-04
Detector	ADSC QUANTUM 4
Wavelength(s)	1.10000
Spacegroup name	P 21 21 21
Unit cell lengths	57.989, 67.140, 165.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.530 - 2.100
Rwork	0.202
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lzm
RMSD bond length	0.010
RMSD bond angle	1.360
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	37671
<I/σ(I)>	9.9	2.2
Completeness [%]	92.4	95.9
Redundancy	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