Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 134.134, 199.416, 214.246 |
| Unit cell angles | 90.00, 103.54, 90.00 |
Refinement procedure
| Resolution | 50.424 - 4.323 |
| R-factor | 0.2926 |
| Rwork | 0.292 |
| R-free | 0.31050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ayb |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.667 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 4.450 |
| High resolution limit [Å] | 4.300 | 4.300 |
| Rmerge | 0.210 | 0.670 |
| Number of reflections | 65048 | |
| <I/σ(I)> | 6 | 2 |
| Completeness [%] | 92.1 | 77.8 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PLEASE SEE PRIMARY REFERENCE AND WOJTAS MN & ABRESCIA NGA, SUBMITTED, pH 6.5 |
