Crystallization conditions |
Temperature (K) |
296 |
296 |
296 |
Crystallization conditions |
Earth-grown by vapor diffusion in sitting drops |
Microgravity-grown by liquid–liquid diffusion in cryostat |
Earth-grown by vapor diffusion in sitting drops |
Drop |
8% ammonium sulfate |
20% ammonium sulfate |
15% ammonium sulfate |
Reservoir |
14–16% ammonium sulfate |
None |
15% ammonium sulfate |
pH |
6.5 |
6.5 |
6.5 |
Growth period (d) |
14 |
14 |
14 |
Data-collection parameters |
Radiation source |
Rigaku RU-200 Cu rotating anode, 45 kV, 40 mA |
Rigaku RU-200 Cu rotating anode, 45 kV, 40 mA |
Beamline 8.2.2, ALS synchrotron, λ = 1.06 Å |
Detector |
SDMS 2-detector system; distances of 930 and 985 mm |
SDMS 2-detector system; distances of 940 and 1000 mm |
ADSC Q315 3 × 3 CCD detector; distance of 205 mm |
Monochromator |
Supper graphite |
Supper graphite |
Double crystal, Si(111) |
Scans |
45° ω scans in 0.10–0.12° increments |
50° ω scans in 0.10° increments |
0.333° ϕ scans |
Frame collection times (s) |
120–200 |
300–360 |
45 |
No. of crystals |
12 |
9 |
6 |
Temperature (K) |
290 |
290 |
100 |
Mounting |
Quartz capillaries |
Quartz capillaries |
Cryoloops |
Data-processing statistics |
Resolution (Å) |
30.0–1.82 |
48.35–1.40 (1.45–1.40) |
R
sym or R
merge
|
0.091 |
0.100 (0.354) |
〈I/σ(I)〉 |
13.0 |
11.6 (2.9) |
Completeness (%) |
89.0 |
95.4 (67.3) |
Multiplicity |
8.2 |
7.23 (2.17) |
No. of observations |
2239616 |
4434593 |
Unique reflections |
271689 |
613720 |
Crystal data |
Space group |
I222 |
I222 |
Unit-cell parameters (Å) |
a = 174.27, b = 191.77, c = 202.50 |
a = 172.69, b = 190.30, c = 201.69 |
Z (particles per cell) |
2 |
2 |