5FOX

HUMANISED MONOMERIC RADA IN COMPLEX WITH FHAA TETRAPEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-18
Detector	MARREAEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	46.841, 117.623, 40.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.527 - 1.300
R-factor	0.1579
Rwork	0.157
R-free	0.18190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b3b
RMSD bond length	0.006
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.640	1.380
High resolution limit [Å]	1.300	1.300
Rmerge	0.090	0.800
Number of reflections	55533
<I/σ(I)>	15.6	2.44
Completeness [%]	99.8	99.7
Redundancy	6.69	6.22

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		8% PEG-1000, 100 MM NAK PHOSPHATE, PH 6.2