4W59

T4 Lysozyme L99A with n-Hexylbenzene 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	2009-05-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.116
Spacegroup name	P 32 2 1
Unit cell lengths	60.410, 60.410, 96.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.999 - 1.390
R-factor	0.176
Rwork	0.176
R-free	0.18730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	181l
RMSD bond length	0.012
RMSD bond angle	1.254
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		1.480
High resolution limit [Å]	1.390	10.000	1.390
Rmerge	0.049	0.025	0.529
Rmeas	0.053	0.029	0.573
Total number of observations	293546
Number of reflections	45280	109	7049
<I/σ(I)>	21.22	42.55	3.7
Completeness [%]	99.9	76.8	100
Redundancy	7

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