3OYM

Crystal structure of the PFV N224H mutant intasome bound to 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	158.050, 158.050, 122.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.890 - 2.020
R-factor	0.1987
Rwork	0.197
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oy9
RMSD bond length	0.010
RMSD bond angle	1.353
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]	39.894	39.894	2.130
High resolution limit [Å]	2.020	6.390	2.020
Rmerge		0.034	0.761
Total number of observations		15347	70146
Number of reflections	99967
<I/σ(I)>	8.7	31.5	1.6
Completeness [%]	98.9	95.8	98.8
Redundancy	4.8	4.7	4.9

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