5JWT

T4 Lysozyme L99A/M102Q with Benzene 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	2015-06-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 32 2 1
Unit cell lengths	60.230, 60.230, 96.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.926 - 1.410
R-factor	0.2213
Rwork	0.220
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lgu
RMSD bond length	0.005
RMSD bond angle	0.788
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]	45.926	1.460
High resolution limit [Å]	1.410	1.410
Rmerge	0.058	0.321
Number of reflections	39667
<I/σ(I)>	2.9
Completeness [%]	99.6	99.6
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	277.15	2.2 M sodium/potassium phosphate, pH 6.9, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide