2XUH

CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (10 MTH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-21
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	79.044, 110.624, 227.037
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.650
R-factor	0.19803
Rwork	0.197
R-free	0.24533
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j06
RMSD bond length	0.013
RMSD bond angle	1.529
Data reduction software	MOSFLM
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	2.720
High resolution limit [Å]	2.650	2.650
Rmerge	0.060	0.460
Number of reflections	58447
<I/σ(I)>	15.4	3.7
Completeness [%]	99.7	99.8
Redundancy	4	4

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