5K9F

Crystal structure of a NIPSNAP domain protein from Burkholderia xenovorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-13
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	I 4 2 2
Unit cell lengths	95.360, 95.360, 63.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.346 - 1.650
R-factor	0.1615
Rwork	0.159
R-free	0.18730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vqs
RMSD bond length	0.006
RMSD bond angle	0.815
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.057	0.029	0.426
Number of reflections	17813
<I/σ(I)>	27.58	51.39	6.26
Completeness [%]	99.9	94.7	100
Redundancy	11.9
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	MORPHEUS G2: 10% w/v PEG8000, 20% v/v ethylene glycol, 100mM MES/imidazole pH 6.5, 20mM citrate, 20mM tartrate, 20mM acetate, 20mM oxamate, 20mM formate; dc; protein 9.94mg/mL; fsu3-9