3RZU

The Crystal Structure of the Catalytic Domain of AMSH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	203.491, 67.362, 113.165
Unit cell angles	90.00, 112.44, 90.00

Refinement procedure

Resolution	47.152 - 2.500
R-factor	0.1947
Rwork	0.193
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2znr
RMSD bond length	0.008
RMSD bond angle	1.412
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Number of reflections	48953
<I/σ(I)>	12.6	15.3	2
Completeness [%]	99.5	98.1	97.8
Redundancy	3.5	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2M Sodium malonate, 20% PEG 3350, 5% PEG 400, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K