1NAQ

Crystal structure of CUTA1 from E.coli at 1.7 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-14
Detector	MARRESEARCH
Wavelength(s)	1.005231, 1.00870, 0.93200
Spacegroup name	P 21 21 21
Unit cell lengths	55.989, 89.563, 122.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.700
R-factor	0.20702
Rwork	0.203
R-free	0.25500 *
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.990 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.1.80)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.091	0.519 *
Total number of observations	643844 *
Number of reflections	65739	9337 *
<I/σ(I)>	5.7	1.1
Completeness [%]	97.2	96.3
Redundancy	9.7	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	20 *	0.1M Na HEPES, 2M Ammonium sulphate, 2% PEG 400, 2 mM 4-(hydroxymercuri)benzoic acid, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	HEPES	0.1 (M)	pH7.5
3	1	reservoir	ammonium sulfate	2.0 (M)
4	1	reservoir	PEG400	2 (%)
5	1	reservoir	4-(hydroxymercuri)benzoic acid	3 (mM)