4TRQ

Crystal structure of Sac3/Thp1/Sem1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	125.741, 125.741, 268.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.608 - 3.100
R-factor	0.1962
Rwork	0.194
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t5v
RMSD bond length	0.008
RMSD bond angle	1.271
Data reduction software	XSCALE
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.608	47.608	3.270
High resolution limit [Å]	3.100	9.800	3.100
Rmerge		0.024	0.743
Rmeas	0.130
Rpim	0.060	0.013	0.385
Total number of observations	172622	5241	26095
Number of reflections	39394
<I/σ(I)>	10.4	38	2
Completeness [%]	99.0	96.2	99.9
Redundancy	4.4	3.9	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.5M Li2SO4, 10% PEG-8.000