5HKR

Crystal structure of de novo designed fullerene organising protein complex with fullerene

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	2010-08-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97919
Spacegroup name	P 62
Unit cell lengths	41.713, 41.713, 66.808
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.125 - 2.350
R-factor	0.2092
Rwork	0.202
R-free	0.23380
RMSD bond length	0.007
RMSD bond angle	0.808
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.480
High resolution limit [Å]	2.350	2.350
Rmerge		0.709
Number of reflections	5598
<I/σ(I)>	15.3	4.2
Completeness [%]	100.0	100
Redundancy	13.7	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	20mM sodium phosphate, 100mM NaCl pH 7.5, 17mM lithium sulfate monohydrate, 85mM tris-hcl sodium pH 8.5, 25.5% PEG 4000, 25%(v/v) glycerol