5FOU

HUMANISED MONOMERIC RADA IN COMPLEX WITH FHPA TETRAPEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-16
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	40.263, 60.571, 87.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.964 - 1.500
R-factor	0.1656
Rwork	0.164
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b3b
RMSD bond length	0.007
RMSD bond angle	0.958
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]	43.960	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.120	0.860
Number of reflections	35168
<I/σ(I)>	13.96	2.22
Completeness [%]	99.8	99.3
Redundancy	6.98	6.65

Crystallization Conditions

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