5JWV

T4 Lysozyme L99A/M102Q with Ethylbenzene 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	2015-06-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95372
Spacegroup name	P 32 2 1
Unit cell lengths	60.160, 60.160, 96.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.878 - 1.300
R-factor	0.1848
Rwork	0.184
R-free	0.20350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lgu
RMSD bond length	0.006
RMSD bond angle	0.824
Data reduction software	d*TREK (9.9.9.10L)
Data scaling software	d*TREK (9.9.9.10L)
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.878	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.070	0.327
Number of reflections	50446
<I/σ(I)>	4
Completeness [%]	99.9	100
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	277.15	2.2 M sodium/potassium phosphate, pH 7.1, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide