5HJM

Crystal Structure of Pyrococcus abyssi Trm5a complexed with MTA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	52.969, 55.334, 130.376
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.720 - 1.762
R-factor	0.1775
Rwork	0.176
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hjk
RMSD bond length	0.004
RMSD bond angle	0.897
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.820
High resolution limit [Å]	1.760	1.760
Rmerge	0.070	0.324
Number of reflections	38919
<I/σ(I)>	25.1	6.5
Completeness [%]	99.4	95.2
Redundancy	7	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	10-15% PEG3350, 100mM HEPES, pH7.5, 100mM Ca(OAc)2 and 100mM KCl