3KLU

Crystal structure of the protein yqbn. northeast structural genomics consortium target sr445.

Replaces:  3DFD

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9791, 0.9679, 0.9794
Spacegroup name	P 65
Unit cell lengths	70.101, 70.101, 59.161
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.225
R-free	0.24600
Structure solution method	MAD
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.117	0.447
Number of reflections	16390
<I/σ(I)>	14.5	3.7
Completeness [%]	99.1
Redundancy	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	PEG1000 20%, 0.1M MNCL2, 0.1M NAACETATE, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K