7CKG

Crystal structure of TMSiPheRS complexed with TMSiPhe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.978910
Spacegroup name	P 21 21 21
Unit cell lengths	71.102, 83.426, 106.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.219 - 2.053
R-factor	0.2093
Rwork	0.207
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hjr
RMSD bond length	0.011
RMSD bond angle	1.059
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12rc0_2787)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.220	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.071	0.580
Rpim	0.051	0.437
Number of reflections	38466	7278
<I/σ(I)>	9.5
Completeness [%]	96.2
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	26% PEG 1500, 10mM Hepes, 200mM L-Proline