4ZMD

C domain of staphylococcal protein A mutant - Q9W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-30
Detector	MAR CCD 130 mm
Wavelength(s)	1.000
Spacegroup name	P 65
Unit cell lengths	44.492, 44.492, 116.165
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.572 - 1.870
R-factor	0.2047
Rwork	0.199
R-free	0.25610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4npd
RMSD bond length	0.012
RMSD bond angle	1.189
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_1664)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.870	1.870
Rmerge	0.091	0.715
Number of reflections	9609
<I/σ(I)>	54.7	2.6
Completeness [%]	99.9	100
Redundancy	17	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG 3350, sodium thiocyanate