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 | 2009-02-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9395 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.540, 33.620, 75.220 |
| Unit cell angles | 90.00, 106.05, 90.00 |
Refinement procedure
| Resolution | 35.026 - 2.400 |
| R-factor | 0.2042 |
| Rwork | 0.198 |
| R-free | 0.26090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t36 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.327 |
| Data reduction software | MOSFLM |
| 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] | 72.288 | 44.100 | 2.530 |
| High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
| Rmerge | 0.033 | 0.498 | |
| Total number of observations | 1450 | 6011 | |
| Number of reflections | 13461 | ||
| <I/σ(I)> | 8.5 | 15.8 | 1.4 |
| Completeness [%] | 97.3 | 98.9 | 96.6 |
| Redundancy | 3.1 | 3 | 3.1 |
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 |
