2XXJ

Penta mutant of lactate dehydrogenase from Thermus thermophilus, ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-31
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	57.150, 147.360, 152.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.644 - 1.964
R-factor	0.1777
Rwork	0.175
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v7p
RMSD bond length	0.007
RMSD bond angle	1.137
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.900	2.080
High resolution limit [Å]	1.960	1.960
Rmerge	0.070	0.440
Number of reflections	91523
<I/σ(I)>	20.94	3.32
Completeness [%]	98.9	93.4
Redundancy	7.37	4.91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.1M NACACODYLATE 0.2M NAAC PH 6.5, 15% W/V PEG 8000. DROPLETS = 2.0 MICROL PROTEIN, 2 MICROL PRECIPITANT, 0.5 MICROL ADDITIVE (30% D(PLUS)-GLUCOSE MONOHYDRATE).