8DEO

Structure of AAP A domain and B-repeats (residues 351-813) from Staphylococcus epidermidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	58.482, 66.565, 66.873
Unit cell angles	84.69, 80.49, 89.66

Refinement procedure

Resolution	39.709 - 2.300
Rwork	0.198
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7sie
RMSD bond length	0.008
RMSD bond angle	1.407
Data reduction software	xia2
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP (11.7.03)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.709	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.586
Rmeas	0.113	0.829
Rpim	0.080	0.586
Number of reflections	42896	4169
<I/σ(I)>	4.8	1.3
Completeness [%]	97.5	96.9
Redundancy	2.2	2.1
CC(1/2)	0.989	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% PEG 550 MME, 10% PEG 20K, 100 mM MOPS/HEPES pH 7 (Morpheus Buffer System 2)