3FPH

Crystal Structure of E81Q mutant of MtNAS in complex with L-Glutamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.96850
Spacegroup name	P 21 21 21
Unit cell lengths	66.198, 69.785, 146.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.300 - 1.800
R-factor	0.193
Rwork	0.191
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fpe
RMSD bond length	0.018
RMSD bond angle	1.611
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.227	69.840	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.069	0.033	0.468
Total number of observations		7565	40256
Number of reflections	61535
<I/σ(I)>	5.415	19.2	1.6
Completeness [%]	97.4	79.4	99.9
Redundancy	4.4	4.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294	22% PEG 3350, 400mM NaBr, pH 8, vapor diffusion, hanging drop, temperature 294K