Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-08-09 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 43 |
| Unit cell lengths | 196.472, 196.472, 225.267 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.120 - 3.700 |
| R-factor | 0.23884 |
| Rwork | 0.237 |
| R-free | 0.27646 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d94 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.004 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.7.0025) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.760 |
| High resolution limit [Å] | 3.700 | 10.020 | 3.700 |
| Rmerge | 0.079 | 0.044 | 0.891 |
| Number of reflections | 90735 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 99.9 | 99.2 | 100 |
| Redundancy | 4.9 | 4.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 30% PEG400, 0.1 M Li2SO4, 0.1 M Na citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
