6NF7

Crystal Structure of RT1.Aa-Bu31-10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	64.046, 205.860, 100.673
Unit cell angles	90.00, 103.25, 90.00

Refinement procedure

Resolution	47.864 - 2.900
R-factor	0.2109
Rwork	0.207
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ed3
RMSD bond length	0.003
RMSD bond angle	0.756
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.864	47.864	2.990
High resolution limit [Å]	2.900	11.960	2.900
Rmerge	0.248	0.052	0.786
Rpim	0.136
Number of reflections	52956	747	4499
<I/σ(I)>	7.8
Completeness [%]	94.5	90.5	92.9
Redundancy	4.2	4.3	3.3
CC(1/2)	0.885	0.995	0.418

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	277	0.1 M Bis-Tris-Propane pH 6.6, 28% PEG 8000 and 0.2 M Mg2SO4