Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97630 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.570, 61.140, 70.350 |
| Unit cell angles | 90.00, 102.93, 90.00 |
Refinement procedure
| Resolution | 41.491 - 1.800 |
| R-factor | 0.1857 |
| Rwork | 0.184 |
| R-free | 0.21850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3KHA |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.054 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.600 | 1.850 | |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.038 | 0.027 | 0.599 |
| Number of reflections | 32079 | 296 | 2365 |
| <I/σ(I)> | 17.74 | 35.77 | 2.19 |
| Completeness [%] | 98.0 | 75.1 | 97.4 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1 M MES, 0.2 M ammonium sulphate, 30% PEG 5000 MME, pH 6.5, vapor diffusion, sitting drop, temperature 277K |
