2XUF

CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (1 MTH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-12
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	79.584, 112.070, 226.887
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.550
R-factor	0.19149
Rwork	0.191
R-free	0.22074
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j06
RMSD bond length	0.012
RMSD bond angle	1.405
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.620
High resolution limit [Å]	2.550	2.550
Rmerge	0.060	0.470
Number of reflections	66465
<I/σ(I)>	15.8	4.2
Completeness [%]	99.5	99.5
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5