4UUM

Apo trichomonas vaginalis lactate dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-17
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	82.570, 59.610, 86.490
Unit cell angles	90.00, 116.18, 90.00

Refinement procedure

Resolution	44.653 - 1.368
R-factor	0.1286
Rwork	0.128
R-free	0.14020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HOMOLOGY MODEL BASED ON PDB ENTRY 5MDH
RMSD bond length	0.008
RMSD bond angle	1.177
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	1.400
High resolution limit [Å]	1.400	1.370
Rmerge	0.040
Number of reflections	145693
<I/σ(I)>	20.8	1.42
Completeness [%]	91.5	48.9
Redundancy	6.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.6		44 MG/ML PROTEIN, 100 MM HEPES PH 7.6, 8.3% PEG-6000, 5% MPD