1R19

Crystal Structure Analysis of S.epidermidis adhesin SdrG binding to Fibrinogen (Apo structure)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2002-02-06
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	44.385, 92.763, 93.916
Unit cell angles	83.62, 76.06, 90.57

Refinement procedure

Resolution	20.000 * - 3.500 *
R-factor	0.251
Rwork	0.251
R-free	0.31900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r17
RMSD bond length	0.012
RMSD bond angle	1.510 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.620
High resolution limit [Å]	3.500	3.500
Rmerge	0.084 *
Total number of observations	57863 *
Number of reflections	13739 *
<I/σ(I)>	12.1	5.4
Completeness [%]	97.3	96.4
Redundancy	3.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 2000 MME, NaCl, MES, Pipes, Cacodylate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000 MME	50 (%)
2	1	reservoir		0.2 (M)