4BUR
Crystal structure of the reduced human Apoptosis inducing factor complexed with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Collection date | 2011-11-23 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 120.766, 120.766, 343.359 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.880 |
| R-factor | 0.18014 |
| Rwork | 0.176 |
| R-free | 0.22973 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m6i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.479 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 343.360 | 3.040 |
| High resolution limit [Å] | 2.870 | 2.880 |
| Rmerge | 0.100 | 0.470 |
| Number of reflections | 66707 | |
| <I/σ(I)> | 12.6 | 3.4 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.6 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 16-20% PEG 4K, 0.2 M LI2SO4 AND 0.1 M TRIS-HCL PH 8.5 |
