6PR1
R260A/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 | 2017-08-12 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.619, 99.553, 147.516 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.160 - 1.820 |
R-factor | 0.177 |
Rwork | 0.176 |
R-free | 0.21010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pjs |
RMSD bond length | 0.006 |
RMSD bond angle | 0.878 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.160 | 1.885 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.132 | |
Rpim | 0.036 | 0.464 |
Number of reflections | 79224 | 7615 |
<I/σ(I)> | 21.4 | |
Completeness [%] | 99.7 | 97.34 |
Redundancy | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 4-14% PEG 4000, 100 mM 2-(N-morpholino)ethanesulfonic acid (MES) pH 5.0, 500mM sodium chloride, 7 mM 2-Mercaptoethanol (BME) |