5VOG

Crystal Structure of a Hypothetical Protein from Neisseria gonorrhoeae with bound ppGpp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	F 2 2 2
Unit cell lengths	81.270, 103.930, 105.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.635 - 1.500
R-factor	0.1507
Rwork	0.149
R-free	0.17650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jkz
RMSD bond length	0.005
RMSD bond angle	0.869
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((dev_2744: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.635	40.635	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.031	0.029	0.403
Rmeas	0.034	0.032	0.445
Number of reflections	35700	433	2619
<I/σ(I)>	26.34	54.41	3.69
Completeness [%]	99.7	95.8	99.9
Redundancy	5.493	5.314	5.565
CC(1/2)	0.999	0.999	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	NegoA.19192.a.B1.PS38045 at 17 mg/ml mixed 1:1 with Morpheus(a2): 10% (w/v) PEG-8000, 20% (v/v) ethylene glycol, 0.1 M MES/imidazole, pH = 5.5, 0.03 M each magnesium chloride and calcium chloride, direct cryo