4DNQ

Crystal Structure of DAD2 S96A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.978916
Spacegroup name	P 31
Unit cell lengths	176.660, 176.660, 107.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.360 - 2.800
R-factor	0.2437
Rwork	0.242
R-free	0.27150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.463
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.360	62.360	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge	0.182	0.145	0.530
Total number of observations		33650	147278
Number of reflections	92560
<I/σ(I)>	10.2	15.9	4.5
Completeness [%]	100.0	99.7	100
Redundancy	11.1	11.5	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.6	291	(NH4)2HPO4 0.2M, PEG 3350 18%, pH 6.6, vapor diffusion, temperature 291K