3W66

MamM-CTD D249A and H285A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-12-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5417
Spacegroup name	C 2 2 21
Unit cell lengths	34.685, 93.866, 50.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.480 - 2.050
R-factor	0.1846
Rwork	0.182
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w5x
RMSD bond length	0.017
RMSD bond angle	1.903
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	2.090
High resolution limit [Å]	2.050	5.550	2.050
Rmerge	0.059	0.028	0.324
Number of reflections	5384
<I/σ(I)>	11.1
Completeness [%]	97.9	100	84.3
Redundancy	7.7	7.4	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1M BIS-TRIS PH 5.5, 25% PEG 3350, 0.2M AmSO4, VAPOR DIFFUSION, SITTING DROP, temperature 293K