5VM8

Crystal structure of a Ribosomal RNA small subunit methyltransferase E from Neisseria gonorrhoeae bound to S-adenosyl methionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	63.300, 71.540, 120.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.944 - 2.400
R-factor	0.2006
Rwork	0.195
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nxz
RMSD bond length	0.008
RMSD bond angle	1.015
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]	28.944	28.944	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.046	0.018	0.552
Rmeas	0.051	0.021	0.614
Number of reflections	21718	246	1608
<I/σ(I)>	21.2	46.08	2.69
Completeness [%]	98.3	83.7	99.4
Redundancy	4.906	3.89	4.744
CC(1/2)	0.999	1.000	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	NegoA.00176.a.B1.PW37905 at 20 mg/mL with 4 mM SAM against JCSG+ screen condition C4 10% PEG 6000, 0.1 M Hepes pH 7.0 supplemented with 20% EG and 2.5 mM AMP as cryo-protectant, crystal tracking ID 273658c4. unique puck ID llm2-5