2X8T

Crystal Structure of the Abn2 H318A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	110
Detector technology	CCD
Detector	ADSC QUANTUM 4r
Spacegroup name	P 1
Unit cell lengths	51.800, 57.370, 85.480
Unit cell angles	82.10, 88.21, 63.61

Refinement procedure

Resolution	31.790 - 1.790
R-factor	0.16
Rwork	0.158
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x8f
RMSD bond length	0.010
RMSD bond angle	1.185
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	1.890
High resolution limit [Å]	1.790	1.790
Rmerge	0.077	0.360
Number of reflections	76283
<I/σ(I)>	13.7	3.3
Completeness [%]	93.3	72.2
Redundancy	3.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			65% MPD 100 mM Tris pH 8.5