4Q3K

Crystal structure of MGS-M1, an alpha/beta hydrolase enzyme from a Medee basin deep-sea metagenome library

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-01-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	78.991, 82.716, 77.377
Unit cell angles	90.00, 109.32, 90.00

Refinement procedure

Resolution	28.296 - 1.570
R-factor	0.1476
Rwork	0.146
R-free	0.18560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hxk
RMSD bond length	0.009
RMSD bond angle	1.230
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_1538))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.042	0.485
Number of reflections	63876
<I/σ(I)>	30.19	2.09
Completeness [%]	97.8	83
Redundancy	2.8	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	20% potassium fluoride, 20% PEG3350. cryoprotectant:12% glycerol., pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K