5X3R

Crystal structure of the SmcR complexed with QStatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100.15
Detector technology	DIFFRACTOMETER
Collection date	2013-07-25
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	78.669, 99.210, 129.407
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.100
R-factor	0.19077
Rwork	0.187
R-free	0.25794
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kz9
RMSD bond length	0.029
RMSD bond angle	2.525
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	59830
<I/σ(I)>	53.54
Completeness [%]	99.8
Redundancy	14.5	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294.15	0.2M Li2SO4, 7% PEG3000, 0.1 M imidazole, pH 8.0