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. 2013 Mar 5;2:e00327. doi: 10.7554/eLife.00327

Table 1.

X-ray data collection and refinement statistics for AFF4-P-TEFb-AMPPNP

DOI: http://dx.doi.org/10.7554/eLife.00327.006

Data collection AFF4-P-TEFb-AMPPNP
Space group P212121
Cell dimensions: a, b, c 100.691, 126.298, 195.626
Resolution (Å)* 50-2.94 (2.99–2.94)
Unique reflections* 54,189 (2664)
Rsym (%)* 9.3 (>100)
I/σ(I)* 23.2 (1.3)
Completeness (%)* 100.0 (100.0)
Redundancy* 8.1 (7.5)
Temperature (K) 100
Mosaicity (°) 0.45–0.6
Refinement
Resolution (Å) 48.7-2.94
No. reflections 53,775
Rwork/Rfree 0.207/0.245
No. atoms/B-factors (Å2)
CDK9, molecule 1, 2, 3 2558 (111.9), 2533 (116.3), 2558 (121.6)
Cyclin T1, molecule 1, 2, 3 2003 (121.3), 2024 (123.1), 2001 (118.5)
AFF4, molecule 1, 2, 3 248 (156.3), 421 (161.1), 243 (160.3)
Water 19 (90.1)
Root mean square deviations
Bond lengths (Å) 0.004
Bond angles (°) 0.666
Ramachandran plot
Favored (%) 94.7
Allowed (%) 4.48
Disallowed (%) 0.78
Protein Data Bank ID 4IMY
*

Values in parentheses are for the highest resolution shell.

Values from MOLPROBITY.