4HTQ

Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 6.70 x 10e+11 X-ray photons

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.66658
Spacegroup name	P 43 21 2
Unit cell lengths	78.922, 78.922, 36.868
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.903 - 1.399
R-factor	0.1321
Rwork	0.130
R-free	0.16300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.984
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.410
High resolution limit [Å]	1.400	4.790	1.400
Rmerge	0.077	0.026	0.539
Number of reflections	23422
<I/σ(I)>	7.5
Completeness [%]	99.3	98	97.2
Redundancy	7.1	6.1	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.73	293	0.100M sodium acetate, pH 4.73, 5% sodium chloride (w/v), 25% ethylene glycol (v/v), micro-seeded, VAPOR DIFFUSION, HANGING DROP, temperature 293K