4UUO

Apo Trichomonas vaginalis malate dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-12
Detector	ADSC CCD
Spacegroup name	I 21 3
Unit cell lengths	155.000, 155.000, 155.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.015 - 2.842
R-factor	0.2088
Rwork	0.206
R-free	0.25850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HOMOLOGY MODEL BASED ON TRICHOMONAS VAGINALIS LDH
RMSD bond length	0.004
RMSD bond angle	0.797
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]	49.000	2.920
High resolution limit [Å]	2.840	2.840
Rmerge	0.188	1.500
Number of reflections	19501
<I/σ(I)>	27.83	1.25
Completeness [%]	99.5	98.2
Redundancy	41.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				8.3 MG/ML PROTEIN, 4.0 M SODIUM FORMATE