1NXT

MicArec pH 4.0

Experimental procedure

Experimental method	SAD using Sulphur and Xenon
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-29
Detector	MARRESEARCH
Wavelength(s)	1.8
Spacegroup name	C 2 2 21
Unit cell lengths	79.673, 92.829, 36.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.860 - 2.340
R-factor	0.21614
Rwork	0.214
R-free	0.23760 *
Structure solution method	SAD Xenon/Sulphur
RMSD bond length	0.022
RMSD bond angle	1.838
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	REFMAC (5.1.27)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.860	2.402
High resolution limit [Å]	2.340	2.342
Rmerge	0.052 *	0.116 *
Total number of observations	110950 *
Number of reflections	5398
<I/σ(I)>	11.6	5.1
Completeness [%]	99.0	97.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	20 *	40%v/v PEG 300, 100mM Phosphate Citrate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	25 (mM)
2	1	drop		300 (mM)	pH7.5
3	1	drop	protein	10 (mg/ml)
4	1	reservoir	PEG300	30 (%(v/v))
5	1	reservoir	Tris-HCl	0.1 (M)	pH7.0