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. 2007 Nov 26;14(11):1243–1253. doi: 10.1016/j.chembiol.2007.10.013

Table 2.

Data Collection and Refinement Statistics

apoPPT
PPT + CoA
PPT + ACP + CoA
PDB ID 2BYD 2C43 2CG5
Space group P212121 P212121 P3221
Unit cell a = 63.78 Å, b = 69.95 Å, c = 71.24 Å a = 65.59 Å, b = 68.96 Å, c = 70.75 Å a = b = 69.36 Å, c = 184.7 Å
No. of unique reflection 21391 19791 14864
Resolution 47.5–2.00 (2.10–2.00) 32.8–1.93 (2.02–1.93) 34.7–2.70 (2.80–2.70)
Completeness (%) 96.4 (77.6) 80.3 (29.2) 99.9 (100)
Redundancy 6.6 (4.0) 5.0 (0.7) 10.4 (10.6)
I/σ 11.8 (2.23) 16.5 (3.59) 17.9 (3.35)
Rint 0.128 (0.578) 0.084 (0.245) 0.090 (0.582)
Rcryst/Rfree 0.176/0.242 0.161/0.219 0.195/0.247
Rmsd bond length (Å) 0.010 0.017 0.013
Rmsd bond angle (°) 1.28 1.66 1.50
No. protein atoms 2315 2276 2638
No. hetero atoms, ions 9 50 46
No. water molecules 189 180 24

Highest resolution shell indicated in parentheses.