3ZJD

A20 OTU domain in reduced, active state at 1.87 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-12
Detector	ADSC QUANTUM 315
Spacegroup name	P 1
Unit cell lengths	43.690, 68.970, 84.300
Unit cell angles	99.04, 100.09, 96.95

Refinement procedure

Resolution	34.292 - 1.870
R-factor	0.1835
Rwork	0.182
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vfj
RMSD bond length	0.019
RMSD bond angle	1.755
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.840	1.970
High resolution limit [Å]	1.870	1.870
Rmerge	0.050	0.450
Number of reflections	73826
<I/σ(I)>	16.1	3.6
Completeness [%]	94.5	94
Redundancy	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.2		2-2.5 M NACL, 0.1 M MES [PH 6-6.7], 10 MM DTT.