4ZN4

Crystal structure of Sqt1 from Chaetomium thermophilum solved by MR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.60508
Spacegroup name	C 1 2 1
Unit cell lengths	111.566, 94.823, 94.949
Unit cell angles	90.00, 109.90, 90.00

Refinement procedure

Resolution	47.411 - 1.940
R-factor	0.173
Rwork	0.171
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ow8
RMSD bond length	0.009
RMSD bond angle	1.202
Data scaling software	Aimless (0.3.11)
Phasing software	MOLREP (11.0.05)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.410	47.410	1.990
High resolution limit [Å]	1.940	9.100	1.940
Rmerge	0.055	0.035	0.727
Rpim	0.027	0.016	0.397
Total number of observations	325940	3641	18517
Number of reflections	67775
<I/σ(I)>	14.6	36.6	1.9
Completeness [%]	98.6	98.7	96.9
Redundancy	4.8	5.2	4.1
CC(1/2)	0.999	0.998	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	1.6M (NH4)2SO4 and 100 mM MES pH 6