1NQ3

Crystal structure of the mammalian tumor associated antigen UK114

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-06-19
Detector	MARRESEARCH
Wavelength(s)	1.006
Spacegroup name	P 21 21 21
Unit cell lengths	51.035, 77.998, 192.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.188
R-free	0.22600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QD9 (serine model)
RMSD bond length	0.005
RMSD bond angle	1.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.078	0.270
Number of reflections	39547
<I/σ(I)>	20.14	4.45
Completeness [%]	98.8	96
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	PEG 8000, potassium phosphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	reservoir	PEG8000	22 (%(w/v))
3	1	reservoir	potassium phosphate	50 (mM)	pH5.6