Table 1. Crystal data and data-collection statistics of crystals grown at 292 K.
| Crystal form | I (Fig. 1a) | II (Fig. 1b) | III (Fig. 1c) | IV (Fig. 1d) | V (Fig. 1e) | VI (Fig. 1f) | VII (Fig. 1g) |
|---|---|---|---|---|---|---|---|
| Reservoir solution | 2.4–2.6 M (NH4)2SO4, 0.1 M CHES† pH 9.3–9.5 | 22% PEG 6000, 0.1 M Tris pH 8.0 | 2.0–2.6 M (NH4)2HPO4, 0.1 M CHES pH 9.2–9.8 | 2.5 M (NH4)2SO4, 0.1 M CHES pH 9.5 | 20–24% PEG 6000, 0.1 M Tris pH 8.0 | 18–26% PEG 6000, 0.1 M Bicine pH 9.0 | 2.6 M (NH4)2SO4, 0.1 M CHES pH 9.4 |
| Cryocooling condition | Paraffin oil | (298 K) | 20%(v/v) glycerol | 10%(v/v) glycerol | (298 K) | +4% PEG 6000, 20%(v/v) ethylene glycol | (298 K) |
| X-ray source | Rotating anode | Rotating anode | BESSY BL14.3 | Rotating anode | Rotating anode | Rotating anode | Rotating anode |
| Wavelength (Å) | 1.5418 | 1.5418 | 0.9537 | 1.5418 | 1.5418 | 1.5418 | 1.5418 |
| Data-collection temperature (K) | 100 | 298 | 100/298‡ | 100 | 298 | 100 | 298 |
| Space group§ | P21212 | C2 | P21 | P21 | P6x | P2x | P21212 |
| Resolution limit (Å) | 2.4 | 2.8 | 1.66/3.2 | 2.0 | 3.3 | 1.9 | 3.3 |
| Unit-cell parameters | |||||||
| a (Å) | 98.9 | 144.5 | 60.3/61.6 | 73.8 | 137.1 | 92.5 | 100.2 |
| b (Å) | 113.4 | 57.0 | 135.8/138.5 | 92.1 | 137.1 | 98.4 | 122.7 |
| c (Å) | 91.3 | 72.8 | 72.6/73.1 | 92.6 | 107.0 | 115.0 | 93.5 |
| β (°) | 110.3 | 92.1/92.5 | 111.0 | 95.8 | |||
| VM (Å3 Da−1) | 2.4 | 2.7 | 2.8/2.9 | 2.8 | 2.7 | 2.4 | 2.7 |
| Solvent content (%) | 49 | 53 | 56/58 | 56 | 55 | 49 | 55 |
| Molecules per ASU | 2 | 1 | 2 | 2 | 2 | 2 | 2 |
| Total reflections | 580367 | 24381 | 688456 | 594606 | n.d. | n.d. | 30538 |
| Unique reflections | 40831 | 11502 | 129723 | 71898 | n.d. | n.d. | 14143 |
| Completeness (%) | 99.9 (99.7) | 82.7 (62.4) | 94.5 (95.3) | 92.0 (97.7) | n.d. | n.d. | 79.2 (72.9) |
| Rsym¶ | 7.6 (24.8) | 6.7 (17.1) | 5.0 (48.5) | 5.8 (23.0) | n.d. | n.d. | 15.5 |
| Rp.i.m.†† | 2.1 (12.8) | 5.0 (15.2) | 2.3 (23.6) | 2.1 (17.5) | n.d. | n.d. | 37.6 |
†
CHES, N-cyclohexyl-2-aminoethanesulfonic acid.
‡
Unit-cell parameters and the V M values correspond to data sets at the two given temperatures. Data-processing statistics are only listed for the synchrotron data collected at 100 K.
§
x, possible screw axes could not be determined owing to insufficient data.
¶
R
sym = 
.
††
R
p.i.m. = 
. R
p.i.m. describes the precision of merged reflections by incorporation of the multiplicity N (Weiss, 2001 ▶).