Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.91980 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 52.389, 82.854, 114.492 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.660 - 2.600 |
| R-factor | 0.255 |
| Rwork | 0.252 |
| R-free | 0.30517 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1XNP |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.128 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.660 | 2.510 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.086 | 0.634 |
| Number of reflections | 17812 | |
| <I/σ(I)> | 17.87 | 5.79 |
| Completeness [%] | 96.2 | 73.3 |
| Redundancy | 12.7 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 1.5 M lithium sulfate, 25% ethylene glycol, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
