4CBR

X-ray structure of the more stable human AGXT triple mutant (AGXT_HEM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 41 21 2
Unit cell lengths	90.200, 90.200, 140.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.679 - 2.300
R-factor	0.222
Rwork	0.220
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yob
RMSD bond length	0.009
RMSD bond angle	1.302
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.680	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.110	0.030
Number of reflections	49917
<I/σ(I)>	21.9	3.9
Completeness [%]	100.0	100
Redundancy	18.6	18.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				15% PEG 10K; 0.1 M HEPES PH 7.5, 2.5% V/V ISOPROPANOL AND 5% GLYCEROL AS ADDITIVE.