2JAI

DDAH1 complexed with citrulline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-01
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	44.831, 46.799, 147.787
Unit cell angles	90.00, 94.64, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.201
Rwork	0.198
R-free	0.25800
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.520
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	7.270	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.070	0.080
Number of reflections	25580
<I/σ(I)>	7.3	8.8
Completeness [%]	93.1	65.6
Redundancy	6.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		289	PROTEIN: 20MG/ML IN 20MM TRIS-HCL PH 8.0, 150MM NACL, 1MM DTT PRECIPITANT: 50MM TRIS-HCL PH 8.5, 150-300MM SODIUM ACETATE, 20-30% W/V PEG4000, 1MM DTT CO-CRYSTALLISED WITH 10MM LIGAND IN PRECIPITATING SOLUTION EXPT:SITTING DROPS UNDER MINERAL OIL AT 16DEG C