Table 3. The correlation coefficients between the model features and the failure point of MR in terms of TM-­score for both MR-REX and Phaser .

The error bars are estimated by repeatedly and randomly withholding half of the data points, calculating the correlations, recording the correlations and then calculating the standard deviations of the correlations. The error is one standard deviation. The highest correlation in each column is highlighted in bold. No. of residues is the number of residues in the asymmetric unit. Residues per ų is the number of residues per ų of the unit cell.

	MR-REX		Phaser
	Single variable	Multi-variable	Single variable	Multi-variable
HETATM per residue	0.13 ± 0.02	0.03 ± 0.16	−0.03 ± 0.02	−0.02 ± 0.17
Volume of unit cell	0.23 ± 0.06	0.77 ± 0.14	0.05 ± 0.03	0.31 ± 0.11
No. of symmetry mates	−0.01 ± 0.05	−0.63 ± 0.13	−0.05 ± 0.02	−0.31 ± 0.17
Residues per Å3	−0.19 ± 0.01	−0.03 ± 0.15	0.04 ± 0.02	0.12 ± 0.11
No. of reflections	0.11 ± 0.05	−0.38 ± 0.18	0.01 ± 0.03	0.06 ± 0.21
Elongation	−0.38 ± 0.01	−0.38 ± 0.13	0.16 ± 0.03	0.18 ± 0.17
No. of residues	0.23 ± 0.01	NA	0.37 ± 0.02	NA