4NZL

Extracellular proteins of Staphylococcus aureus inhibit the neutrophil serine proteases

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	2012-10-25
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 61
Unit cell lengths	94.952, 94.952, 84.162
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.476 - 1.850
R-factor	0.1681
Rwork	0.166
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3Q76 AND 1YN4
RMSD bond length	0.007
RMSD bond angle	1.109
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1525))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.480	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.135	0.454
Number of reflections	366006
<I/σ(I)>	25.9	4.1
Completeness [%]	100.0	99.7
Redundancy	9.9	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	298	1.0 M succinic acid, 0.1 M Na-HEPES, 1% (w/v) PEG 2000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K