1WCC

screening for fragment binding by X-ray crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Detector	MSC
Spacegroup name	P 21 21 21
Unit cell lengths	53.268, 71.713, 72.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.890 - 2.200
R-factor	0.181
Rwork	0.177
R-free	0.25200
Structure solution method	OTHER
RMSD bond length	0.012
RMSD bond angle	1.342
Data reduction software	d*TREK
Data scaling software	d*TREK
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.200
Rmerge	0.040
Number of reflections	25370
<I/σ(I)>	1.55
Completeness [%]	93.5
Redundancy	1.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1