6J7C

Crystal structure of proline racemase-like protein from Thermococcus litoralis in complex with proline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 63 2 2
Unit cell lengths	125.379, 125.379, 140.633
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.793 - 2.700
R-factor	0.2505
Rwork	0.245
R-free	0.29580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w61
RMSD bond length	0.009
RMSD bond angle	1.036
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmeas	0.185	1.993
Rpim	0.041	0.446
Number of reflections	18535	889
<I/σ(I)>	25.4	2
Completeness [%]	100.0	100
Redundancy	20.1	19.7
CC(1/2)		0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M HEPES pH 7.0, 30% (v/v) Jeffamine ED-2001 pH 7.0