3W8P

MamM-CTD D249A&H28A mutant

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	2013-02-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.947
Spacegroup name	C 2 2 21
Unit cell lengths	75.560, 87.526, 64.693
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.580 - 1.800
R-factor	0.2086
Rwork	0.207
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w5x
RMSD bond length	0.018
RMSD bond angle	1.976
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.830
High resolution limit [Å]	1.800	4.870	1.800
Rmerge	0.087	0.062	0.501
Number of reflections	19801
<I/σ(I)>	15.9
Completeness [%]	99.4	94.4	100
Redundancy	10.4	8.8	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.1M BIS-TRIS PH=6.2, 26% PEG 3350, 0.2M AmSO4, VAPOR DIFFUSION, SITTING DROP, temperature 293K