7BMT

HEWL in sodium chloride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-04-24
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	78.877, 78.877, 36.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.130 - 1.470
R-factor	0.142
Rwork	0.141
R-free	0.16870
Structure solution method	SAD
RMSD bond length	0.027
RMSD bond angle	2.518
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.130	19.130	1.490
High resolution limit [Å]	1.470	8.040	1.470
Rmerge	0.042	0.026	0.147
Rmeas	0.043	0.027	0.150
Rpim	0.006	0.004	0.028
Total number of observations		6059	24175
Number of reflections	20426	152	914
<I/σ(I)>	84.9	138.4	21.6
Completeness [%]	99.6	93.8	93.1
Redundancy	50.9	39.9	26.4
CC(1/2)	1.000	1.000	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293.15	50 mM sodium acetate pH 4.5, 1.71 M sodium chloride, 15 % (w/v) ethylene glycol