2WOS

Structure of human S100A7 in complex with 2,6 ANS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-17
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	51.610, 51.610, 116.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.210 - 1.700
R-factor	0.1821
Rwork	0.181
R-free	0.21023
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psr
RMSD bond length	0.036
RMSD bond angle	2.753
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.300	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.070	0.240
Number of reflections	18138
<I/σ(I)>	33.2	10.9
Completeness [%]	99.9	99.9
Redundancy	18.4	15.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1