1VQY

CRYSTAL STRUCTURE OF a NIPSNAP FAMILY PROTEIN (ATU5224) FROM AGROBACTERIUM TUMEFACIENS STR. C58 AT 2.40 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-09
Detector	ADSC
Spacegroup name	P 21 21 21
Unit cell lengths	68.035, 110.924, 129.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.080 - 2.400
R-factor	0.18932
Rwork	0.186
R-free	0.24436
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.321
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.280	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	38294
<I/σ(I)>	13.3	3.2
Completeness [%]	98.0	97.5
Redundancy	6.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	15% PEG MME 5000, 0.06M Tris Cl, 0.04M Tris_base, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	15% PEG MME 5000, 0.06M Tris Cl, 0.04M Tris_base, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K