1NXO

MicArec pH7.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978
Spacegroup name	C 2 2 21
Unit cell lengths	80.308, 92.512, 36.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.160 - 1.850
R-factor	0.18062
Rwork	0.176
R-free	0.21810 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nxt
RMSD bond length	0.016
RMSD bond angle	1.532
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC (5.1.27)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.160	1.898
High resolution limit [Å]	1.850	1.850
Rmerge	0.084 *	0.237 *
Total number of observations	260225 *
Number of reflections	12010
<I/σ(I)>	7	2.4
Completeness [%]	99.4	100 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	20 *	40%v/v PEG 300, 5%w/v PEG 1,000, 100mM Tris, , pH 7.0, 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