5JWW

T4 Lysozyme L99A/M102Q with 1-Hydro-2-ethyl-1,2-azaborine 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	2015-06-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.82656
Spacegroup name	P 32 2 1
Unit cell lengths	60.163, 60.163, 97.087
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.955 - 1.470
R-factor	0.2157
Rwork	0.214
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lgu
RMSD bond length	0.006
RMSD bond angle	0.844
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]	22.955	1.520
High resolution limit [Å]	1.470	1.470
Rmerge	0.107	0.527
Number of reflections	34613
<I/σ(I)>	1.6
Completeness [%]	98.2	100
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277.15	2.1 M sodium/potassium phosphate, pH 6.8, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide