4PWU

Crystal structure of a modulator protein MzrA (KPN_03524) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.45 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	61.770, 74.380, 74.200
Unit cell angles	90.00, 99.26, 90.00

Refinement procedure

Resolution	37.573 - 2.450
R-factor	0.2013
Rwork	0.199
R-free	0.25010
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.840
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.573	37.570	2.510
High resolution limit [Å]	2.450	10.960	2.450
Rmerge	0.075	0.038	1.409
Number of reflections	12229	145	894
<I/σ(I)>	15.84	42.2	1.84
Completeness [%]	99.6	95.4	99.9
Redundancy	7.56		7.67

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.83	293	1.40M sodium acetate, 0.1M sodium cacodylate pH 5.83, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	5.83	293	1.40M sodium acetate, 0.1M sodium cacodylate pH 5.83, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K