3RZV

The Crystal Structure of a E280A Mutant 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	2011-03-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	53.437, 53.437, 128.828
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.474 - 1.670
R-factor	0.1812
Rwork	0.180
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rzv
RMSD bond length	0.006
RMSD bond angle	0.993
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	1.710
High resolution limit [Å]	1.670	4.560	1.670
Number of reflections	22450
<I/σ(I)>	28.3	36	3.7
Completeness [%]	99.6	95.9	100
Redundancy	12.1	11.1	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1M MES, 15% PEG 6000, 5% MPD, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K