7LV7

Crystal Structure of Branched-chain amino acid aminotransferase from Giardia lamblia ATCC 50803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-14
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.990, 243.180, 60.500
Unit cell angles	90.00, 118.92, 90.00

Refinement procedure

Resolution	47.530 - 2.100
R-factor	0.1617
Rwork	0.161
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dqn as per Morda
RMSD bond length	0.007
RMSD bond angle	0.863
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.095	0.032	0.433
Rmeas	0.116	0.039	0.544
Number of reflections	85876	946	6254
<I/σ(I)>	9.45	28.1	2.58
Completeness [%]	99.0	93.8	98.1
Redundancy	2.951	2.921	2.545
CC(1/2)	0.994	0.997	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	287	RigakuReagents JCSG+ screen, condition H3: 100mM BisTris pH 5.5, 25% (w/V) PEG 3350: GilaA.10478.a.A1.PW27569 + 2mM PLP: tray 254466 h3: cryo: 20% ethylene glcol: puck bfw3-4