Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97934, 0.97932, 0.97956, 0.95667 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.660, 126.920, 137.920 |
| Unit cell angles | 90.00, 96.70, 90.00 |
Refinement procedure
| Resolution | 37.142 - 2.900 |
| R-factor | 0.2406 |
| Rwork | 0.239 |
| R-free | 0.27980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3RJR |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.849 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.980 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.052 | 2.740 |
| Number of reflections | 39918 | 2994 |
| <I/σ(I)> | 15.3 | 0.55 |
| Completeness [%] | 96.1 | 98 |
| Redundancy | 4.3 | 4.3 |
| CC(1/2) | 0.999 | 0.330 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 7% PEG 3350, 17% isopropanol, 0.1m Na citrate pH 5.6 |
