4Q3N

Crystal structure of MGS-M5, a lactate dehydrogenase 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	2012-11-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	92.818, 92.818, 203.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.310 - 1.970
R-factor	0.1476
Rwork	0.145
R-free	0.18380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entry 1LDN
RMSD bond length	0.017
RMSD bond angle	1.489
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]	35.000	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.048	0.510
Number of reflections	31973
<I/σ(I)>	45.3	5.31
Completeness [%]	99.9	99.9
Redundancy	6.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	287	0.1 M sodium cacodylate, 0.2 M calcium acetate, 9% PEG 8K, trypsin in 1/70 molar ratio protein:trypsin cryoprotectant: 12% glycerol then paratone, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K