4W53

T4 Lysozyme L99A with Toluene Bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.116
Spacegroup name	P 32 2 1
Unit cell lengths	60.340, 60.340, 96.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.002 - 1.560
R-factor	0.1748
Rwork	0.174
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	181l
RMSD bond length	0.013
RMSD bond angle	1.406
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.660
High resolution limit [Å]	1.560	10.000	1.560
Rmerge	0.063	0.031	0.494
Rmeas	0.067	0.034	0.527
Total number of observations	243127
Number of reflections	33182	121	4924
<I/σ(I)>	20.32	42.51	4.47
Completeness [%]	99.6	84	99.2
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	20% (w/v) PEGF-4000, 10% 2-propanol, 0.1 M HEPES, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide