6BAV

Crystal Structure of GltPh R397C in complex with S-Benzyl-L-Cysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953700
Spacegroup name	P 61
Unit cell lengths	114.659, 114.659, 321.449
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 3.700
R-factor	0.2472
Rwork	0.247
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nww
RMSD bond length	0.007
RMSD bond angle	0.995
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.070	3.900
High resolution limit [Å]	3.700	3.700
Rmerge	0.078	0.552
Rmeas	0.091	0.653
Rpim	0.046	0.335
Number of reflections	24809	12538
<I/σ(I)>	8.7	1.7
Completeness [%]	97.5	98.9
Redundancy	3.5	3.4
CC(1/2)	0.997	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	280	50 mM citric acid 50 mM Disodium phosphate 100 mM Lithium sulfate 15-23% PEG1000