4W57

T4 Lysozyme L99A with n-Butylbenzene 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	2009-11-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.116
Spacegroup name	P 32 2 1
Unit cell lengths	60.310, 60.310, 96.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.951 - 1.680
R-factor	0.1708
Rwork	0.170
R-free	0.18480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	181l
RMSD bond length	0.009
RMSD bond angle	1.060
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		1.780
High resolution limit [Å]	1.680	10.000	1.680
Rmerge	0.089	0.036	0.490
Rmeas	0.094	0.039	0.520
Total number of observations	213922
Number of reflections	27714	140	3720
<I/σ(I)>	19.1	36.37	6.19
Completeness [%]	100.0	99.3	100
Redundancy	9

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