5HFJ

crystal structure of M1.HpyAVI-SAM complex

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	2015-05-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97772
Spacegroup name	P 65
Unit cell lengths	135.603, 135.603, 265.146
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.908 - 3.100
R-factor	0.2234
Rwork	0.221
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hek
RMSD bond length	0.007
RMSD bond angle	1.651
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.908	3.178
High resolution limit [Å]	3.100	3.100
Rmerge	0.106	0.769
Number of reflections	49903
<I/σ(I)>	14	1.9
Completeness [%]	99.7	97.8
Redundancy	5.6	4
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	14% PEG2000, 0.2 M lithium sulfate