5YTQ

Crystal Structure of TTHA0139 L34A with Lanthanum from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00000
Spacegroup name	P 31 1 2
Unit cell lengths	50.224, 50.224, 174.648
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.844 - 2.393
R-factor	0.2637
Rwork	0.263
R-free	0.27370
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.415
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.430
High resolution limit [Å]	2.390	2.390
Rmerge	0.092	1.255
Rpim	0.031	0.395
Number of reflections	10313	470
<I/σ(I)>	43.3	2.3
Completeness [%]	99.8	100
Redundancy	10.5	10.9
CC(1/2)		0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	11.4mg/mL, 3.2M Sodium chloride, 0.1M Sodium acetate trihydrate, 4% 2,5 Hexanediol, 10mM Lanthanum nitrate hexahydrate