4CNF

Crystal structure of Sulfolobus acidocaldarius TrmJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-14
Detector	DECTRIS PILATUS
Spacegroup name	P 21 2 21
Unit cell lengths	45.138, 53.702, 130.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.690 - 1.400
R-factor	0.1586
Rwork	0.157
R-free	0.19276
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cnd
RMSD bond length	0.016
RMSD bond angle	1.611
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.000	1.500
High resolution limit [Å]	1.400	1.400
Rmerge	0.010
Number of reflections	63289
<I/σ(I)>	11.1	1.2
Completeness [%]	99.9	99.3
Redundancy	14.4	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		0.2 M KBR, 0.1M NA-ACETATE PH 5.5, 20 % PEG2000MME