Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-03-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.089, 78.880, 112.409 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.590 - 2.200 |
| R-factor | 0.1635 |
| Rwork | 0.161 |
| R-free | 0.20710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qmf |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.111 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP (10.2.35) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.569 | 19.594 | 2.320 |
| High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
| Rmerge | 0.028 | 0.480 | |
| Rmeas | 0.130 | ||
| Rpim | 0.048 | 0.011 | 0.193 |
| Total number of observations | 240153 | 7561 | 34292 |
| Number of reflections | 33204 | ||
| <I/σ(I)> | 16.4 | 52.8 | 4.4 |
| Completeness [%] | 99.9 | 95.7 | 99.9 |
| Redundancy | 7.2 | 6.7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2M CACL2 2H2O, 0.1M BIS-TRIS PH 6.5, 22%(W/V) PEG 3350 |
