4HTK

Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 2.17 x 10e+12 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	79.022, 79.022, 36.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.938 - 1.200
R-factor	0.1344
Rwork	0.134
R-free	0.15160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.211
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.877	100.000	1.210
High resolution limit [Å]	1.200	4.100	1.200
Rmerge	0.061	0.019	0.527
Number of reflections	36830
<I/σ(I)>	8.3
Completeness [%]	99.0	98.1	99.9
Redundancy	6.8	6.4	6.1

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