3OYI

Crystal structure of the PFV S217Q mutant intasome in complex with manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97630
Spacegroup name	P 41 21 2
Unit cell lengths	160.580, 160.580, 123.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.950 - 2.720
R-factor	0.2124
Rwork	0.211
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oy9
RMSD bond length	0.012
RMSD bond angle	1.626
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]	38.946	39.216	2.870
High resolution limit [Å]	2.720	8.600	2.720
Rmerge		0.088	0.864
Total number of observations		6014	29010
Number of reflections	43629
<I/σ(I)>	6.4	11.8	1.6
Completeness [%]	99.6	96.3	99.9
Redundancy	4.6	4.1	4.6

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