Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 150.930, 356.810, 230.750 |
| Unit cell angles | 90.00, 97.31, 90.00 |
Refinement procedure
| Resolution | 59.470 - 3.100 |
| R-factor | 0.2336 |
| Rwork | 0.232 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3S6N |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.290 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.500 | 4.200 | 3.290 |
| High resolution limit [Å] | 3.100 | 4.000 | 3.100 |
| Number of reflections | 281563 | ||
| <I/σ(I)> | 14.3 | 2.31 | 1.35 |
| Completeness [%] | 98.9 | 96.7 | 5.8 |
| Redundancy | 3.9 | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 24% PEG 4000, 10% Ethanol, 150mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
