2WOR

co-structure of S100A7 with 1,8 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	51.660, 51.660, 117.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.270 - 1.700
R-factor	0.188
Rwork	0.187
R-free	0.21211
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psr
RMSD bond length	0.033
RMSD bond angle	2.563
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.210	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.070	0.350
Number of reflections	18214
<I/σ(I)>	34.1	9.3
Completeness [%]	100.0	100
Redundancy	26.4	22.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1