1Z7B

Crystal structure of E.coli ArnA dehydrogenase (decarboxylase) domain, R619E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0781
Spacegroup name	P 41 3 2
Unit cell lengths	150.253, 150.253, 150.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.310
R-factor	0.2
Rwork	0.200
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u9j
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.094	0.510
Number of reflections	26090
<I/σ(I)>	21.7	5
Completeness [%]	99.8	100
Redundancy	6.9	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.75	289	2.0 M (NH4)2SO4, 5 MM DTT, 100 MM MES PH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 289K