Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.392, 141.363, 87.898 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.949 - 3.694 |
| R-factor | 0.2337 |
| Rwork | 0.229 |
| R-free | 0.27620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kpb |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.683 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.949 | 3.760 |
| High resolution limit [Å] | 3.690 | 3.690 |
| Rmeas | 0.052 | 0.485 |
| Rpim | 0.023 | 0.209 |
| Number of reflections | 11864 | 11864 |
| <I/σ(I)> | 21 | 3.4 |
| Completeness [%] | 98.7 | 90.7 |
| Redundancy | 5.3 | 5.2 |
| CC(1/2) | 0.990 | 0.910 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1M HEPES pH 7.5, 4 M NaCl |
