5USR
Crystal structure of human NFS1-ISD11 in complex with E. coli acyl-carrier protein at 3.09 angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12709 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 125.484, 147.780, 168.454 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.826 - 3.090 |
| R-factor | 0.2139 |
| Rwork | 0.212 |
| R-free | 0.25920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lvm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.547 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.140 |
| High resolution limit [Å] | 3.090 | 8.380 | 3.090 |
| Rmerge | 0.067 | 0.030 | |
| Rmeas | 0.069 | 0.033 | |
| Rpim | 0.026 | 0.012 | 0.416 |
| Total number of observations | 471007 | ||
| Number of reflections | 58855 | ||
| <I/σ(I)> | 39.6 | 2 | |
| Completeness [%] | 99.4 | 99.6 | 88.6 |
| Redundancy | 8 | 6.8 | 7.4 |
| CC(1/2) | 0.999 | 0.619 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 295 | 450 uL 0.1 M CBTP (pH = 6.4), 0.3 M CsCl, 0.2 M D,L - allylglycine, 5 mM TCEP, 8 % (wt/vol) PEG 3350 mixed with 50 uL of 40 % (vol/vol) acetone |
