5TRP

Crystal Structure of the Unliganded DH270 Cooperating Lineage Member DH272

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97925
Spacegroup name	I 2 2 2
Unit cell lengths	60.862, 124.502, 146.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.389 - 2.692
R-factor	0.2139
Rwork	0.211
R-free	0.25610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f6i 4lss
RMSD bond length	0.003
RMSD bond angle	0.802
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.389	50.000	2.730
High resolution limit [Å]	2.680	7.270	2.680
Rmerge	0.119	0.051	0.638
Rmeas	0.164	0.070	0.879
Rpim	0.113	0.048	0.601
Total number of observations	47496
Number of reflections	15432
<I/σ(I)>	5.6
Completeness [%]	96.0	92.3	96.1
Redundancy	1.7	1.8	1.6
CC(1/2)		0.989	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	2.5 M AmSO4, 100 mM Na Acetate, pH 5.0