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. 2006 Jun 28;103(28):10642–10647. doi: 10.1073/pnas.0604062103

Table 1.

Crystallographic statistics

Resolvase:Hin chimera Activated apo resolvase
Spacegroup P21212 P212121
Resolution, Å 50.0–3.5 50–2.1
Rmerge,* % 9.1 8.9
I 12.9 (1.2) 15.7 (1.9)
Completeness, % 96.5 (84.3) 99.8 (100)
Unique reflections 16,189 59,517
Redundancy 3.5 3.8
Copies in AU 2 4
rms deviation bond length, Å 0.008 0.007
rms deviation bond angle, ° 1.2 1.0
Rcryst, % 28.2 (20–3.5 Å) 21.9
Rfree, % 32.3 (20–3.5 Å) 25.5
PDB ID 2GM4 2GM5

*Rmerge is Σj|Ij−〈I〉|, where Ij is the intensity of an individual reflection and 〈I〉 is the mean intensity for multiply recorded reflections.

I/σ is the mean of intensity divided by the SD. The values in brackets are for the high resolution shell (3.63–3.5 Å and 2.18–2.1 Å, respectively).

Rcryst is Σ‖Fo|−|Fc‖/Σ|Fo|, where Fo is an observed amplitude and Fc is a calculated amplitude; Rfree is the same statistic calculated over a subset of the data that have not been used for refinement.