7E5W

The structure of CcpA from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL17A
Synchrotron site	NSRRC
Beamline	BL17A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	179.287, 179.287, 173.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.260 - 2.550
R-factor	0.2342
Rwork	0.233
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rzr
RMSD bond length	0.010
RMSD bond angle	1.292
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.300	6.500	2.690
High resolution limit [Å]	2.540	5.600	2.540
Rmerge		0.094	0.570
Rmeas		0.099	0.592
Rpim		0.029	0.160
Number of reflections	46268	4517	4213
<I/σ(I)>	22.67
Completeness [%]	99.9	99.9	100
Redundancy	11.3	12.2	13.6
CC(1/2)	0.999	0.996	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	(NH4)2SO4, NaOAC