4HTN

Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 1.32 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	78.958, 78.958, 36.881
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.916 - 1.300
R-factor	0.1286
Rwork	0.127
R-free	0.15800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz8
RMSD bond length	0.015
RMSD bond angle	1.518
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	1.310
High resolution limit [Å]	1.300	4.450	1.300
Rmerge	0.064	0.022	0.502
Number of reflections	29053
<I/σ(I)>	8.4
Completeness [%]	99.2	98.4	96.2
Redundancy	7.2	6.2	7.4

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