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 | 2011-04-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93930 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 61.970, 61.970, 228.365 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.972 - 1.500 |
| R-factor | 0.2143 |
| Rwork | 0.212 |
| R-free | 0.26140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k82 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.970 | 19.970 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.072 | 0.043 | 0.328 |
| Rmeas | 0.077 | 0.046 | 0.353 |
| Rpim | 0.026 | 0.013 | 0.130 |
| Total number of observations | 618089 | 5627 | 28816 |
| Number of reflections | 80715 | 447 | 3951 |
| <I/σ(I)> | 16.6 | 27.7 | 5.1 |
| Completeness [%] | 99.6 | 82.5 | 100 |
| Redundancy | 7.7 | 12.6 | 7.3 |
| CC(1/2) | 0.998 | 0.998 | 0.941 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.2 M AMMONIUM SULPHATE, 30% PEG 4000 |
