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. Author manuscript; available in PMC: 2017 Dec 6.

Published in final edited form as: Structure. 2016 Nov 10;24(12):2102–2114. doi: 10.1016/j.str.2016.09.017

Table 1.

Data collection and refinement statistics.

	Fab	DraNramp
PDB ID	n.a.	5KTE
SBGrid Data Bank ID	335	332, 333, 334

Data Collection
Wavelength (Å)	0.97917	1.139
Resolution range (Å)	30.00 – 3.00 (3.11 – 3.00)	46.47 - 3.94 (4.08 - 3.94)
Space group	P2₁2₁2₁	I222
Unit cell (a, b, c)	116.17, 183.66, 299.88	113.13, 132.08, 221.0
Number of crystals	1	3
Total reflections	558353	245867
Unique reflections	119718	11791 (462)
Redundancy	4.7 (4.8)	16.6 (11.4)
Completeness (%)	99.5 (100.0)	95 (96)
Mean I/σ(I)	8.4 (2.2)	6 (.61)
R_merge	0.151	0.171
R_meas		0.177
R_pim		0.047
CC_1/2		.99 (.189)
Refinement
Resolution range (Å)		46.47 - 3.94 (4.12 - 3.94)
R_work		0.2666 (0.2672)
R_free		0.3128 (0.3656)
Number of atoms		5625
Protein		5622
Ions (Os)		3
Protein residues		762
Ramachandran plot
Favored (%)		692 (90.8)
Allowed (%)		66 (8.7)
Outliers (%)		4 (0.52)
RMS(bonds)		0.005
RMS(angles)		1.12
Average B-factor		89.8
Protein		89.8
Ions (Os)		190