2WND

Structure of an S100A7 triple mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Collection date	2008-09-03
Spacegroup name	I 41 2 2
Unit cell lengths	68.930, 68.930, 92.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.370 - 1.600
R-factor	0.21745
Rwork	0.216
R-free	0.25003
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psr
RMSD bond length	0.029
RMSD bond angle	2.378
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.370	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.030	0.320
Number of reflections	18213
<I/σ(I)>	24.3	4.1
Completeness [%]	100.0	100
Redundancy	12.8	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1