4L4R

Structural Characterisation of the Apo-form of Human Lactate Dehydrogenase M Isozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	77
Detector technology	PIXEL
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9173
Spacegroup name	P 41 2 2
Unit cell lengths	84.652, 84.652, 275.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.755 - 2.100
R-factor	0.1648
Rwork	0.164
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i10
RMSD bond length	0.008
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.755	29.755	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.026	0.482
Number of reflections	56283
<I/σ(I)>	14.9	22.2	1.5
Completeness [%]	94.6	97.2	74.8
Redundancy	6.6	6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	10% PEG 8000, 100 mM HEPES pH 7.5, 20 % ethylene glycol, 10 % Acetonitrile, VAPOR DIFFUSION, SITTING DROP, temperature 291K