5JPJ

Crystal structure of 6aJL2-R24G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.18076
Spacegroup name	I 21 21 21
Unit cell lengths	69.929, 77.796, 93.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.694 - 2.000
R-factor	0.1976
Rwork	0.195
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2mkw
RMSD bond length	0.005
RMSD bond angle	0.776
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.773	2.001
High resolution limit [Å]	2.000	2.000
Rmerge	0.072	0.566
Number of reflections	17490
<I/σ(I)>	14.8	2.3
Completeness [%]	98.7	91.5
Redundancy	4.6	3.7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	1 M sodium/potassium tartrate, 100 mM Tris-HCl, pH 7.0, 200 mM lithium sulfate