2XYA

Non-covalent inhibtors of rhinovirus 3C protease.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	100
Spacegroup name	I 41 2 2
Unit cell lengths	126.143, 126.143, 75.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.090 - 2.400
R-factor	0.22987
Rwork	0.227
R-free	0.28850
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.014
RMSD bond angle	2.158
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.100
Number of reflections	12145
<I/σ(I)>	6.6
Completeness [%]	99.5
Redundancy	6.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1