5YTP

Crystal Structure of TTHA0139 L34A 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	2016-10-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00000
Spacegroup name	P 43 21 2
Unit cell lengths	65.531, 65.531, 74.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.765 - 2.457
R-factor	0.2575
Rwork	0.257
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ytq
RMSD bond length	0.009
RMSD bond angle	1.180
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.450	2.450
Rmerge	0.066	1.292
Rpim	0.020	0.355
Number of reflections	6292	308
<I/σ(I)>	48.3	2.6
Completeness [%]	99.5	100
Redundancy	12.6	13.9
CC(1/2)		0.884

Crystallization Conditions

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