Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-23 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9840 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.013, 34.322, 77.516 |
| Unit cell angles | 90.00, 105.87, 90.00 |
Refinement procedure
| Resolution | 37.281 - 1.900 |
| R-factor | 0.2083 |
| Rwork | 0.205 |
| R-free | 0.26190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t36 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.244 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.562 | 37.281 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.035 | 0.217 | |
| Total number of observations | 3413 | 11035 | |
| Number of reflections | 28825 | ||
| <I/σ(I)> | 12.1 | 15.9 | 2 |
| Completeness [%] | 98.7 | 99.2 | 92.8 |
| Redundancy | 3.5 | 3.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.2 M succinic acid, pH 5.5, 15% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
