6P7C
D104A/S128A S. typhimurium siroheme synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-24 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.940, 99.913, 147.545 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.170 - 2.760 |
| R-factor | 0.1929 |
| Rwork | 0.184 |
| R-free | 0.28510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pjs |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
| Rmerge | 0.491 | 0.209 | 1.462 |
| Rmeas | 0.512 | 0.219 | 1.557 |
| Rpim | 0.142 | 0.062 | 0.522 |
| Total number of observations | 294154 | ||
| Number of reflections | 23599 | 1310 | 1130 |
| <I/σ(I)> | 4.9 | ||
| Completeness [%] | 99.8 | 99.5 | 98.7 |
| Redundancy | 12.5 | 13 | 8.4 |
| CC(1/2) | 0.968 | 0.611 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 4-14% PEG 4000, 100 mM 2-(N-morpholino)ethanesulfonic acid (MES) pH 5.0, 500mM sodium chloride, 7 mM 2-Mercaptoethanol (BME), microseeded |
