3OYL

Crystal structure of the PFV S217H mutant intasome bound to magnesium and the INSTI MK2048

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2010-06-08
Detector	ADSC
Wavelength(s)	0.98011
Spacegroup name	P 41 21 2
Unit cell lengths	159.700, 159.700, 123.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.090 - 2.540
R-factor	0.206
Rwork	0.205
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oyb
RMSD bond length	0.010
RMSD bond angle	1.424
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.094	39.094	2.680
High resolution limit [Å]	2.540	8.030	2.540
Rmerge		0.030	0.983
Total number of observations		8787	41464
Number of reflections	52924
<I/σ(I)>	11.7	38.9	1.7
Completeness [%]	99.7	97.2	100
Redundancy	5.3	4.9	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	1.35 M ammonium sulfate, 25% (v/v) glycerol, 4.8% (v/v) 1,6-hexanediol, 50 mM Mes-NaOH, 1mM EDTA, pH 6.5, vapor diffusion, hanging drop, temperature 291K