8TRF

Crystal structure of SM0281, an alpha/beta hydrolase from Sinorhizobium meliloti

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-11-27
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	85.528, 130.173, 136.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.690 - 2.460
R-factor	0.1997
Rwork	0.198
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.752
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.460	2.460
Rmerge	0.110	1.028
Rpim	0.042	0.453
Number of reflections	55702	2692
<I/σ(I)>	15	1.01
Completeness [%]	99.9	97.8
Redundancy	7.6	5.4
CC(1/2)	0.989	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris pH 8.5, 30% PEG6000