5GW9

Crystal structure of C163, a backbone circularized G-CSF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-14
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	P 32
Unit cell lengths	60.941, 60.941, 178.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.080 - 1.650
R-factor	0.17939
Rwork	0.177
R-free	0.21828
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d9q
RMSD bond length	0.034
RMSD bond angle	2.719
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.693
High resolution limit [Å]	1.650	1.650
Rmerge	0.062	0.640
Number of reflections	89146
<I/σ(I)>	35.5	3.2
Completeness [%]	99.9	100
Redundancy	5.7	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.4M Ammonium sulfate