4W55

T4 Lysozyme L99A with n-Propylbenzene 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	2009-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.116
Spacegroup name	P 32 2 1
Unit cell lengths	60.320, 60.320, 96.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.938 - 1.640
R-factor	0.1674
Rwork	0.166
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	181l
RMSD bond length	0.012
RMSD bond angle	1.289
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		1.740
High resolution limit [Å]	1.640	4.770	1.640
Rmerge	0.062	0.025	0.488
Rmeas	0.066	0.027	0.519
Total number of observations	226432
Number of reflections	27463	1143	4081
<I/σ(I)>	23.64	61.38	4.56
Completeness [%]	100.0	99.9	100
Redundancy	8.8

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