Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 210.040, 449.520, 624.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.916 - 3.140 |
R-factor | 0.2412 |
Rwork | 0.238 |
R-free | 0.29200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4Y4O without YfiA |
RMSD bond length | 0.002 |
RMSD bond angle | 0.508 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASES |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.916 | 49.916 | 4.820 |
High resolution limit [Å] | 3.140 | 21.020 | 4.700 |
Rmerge | 0.329 | 0.109 | 1.196 |
Rmeas | 0.380 | 0.120 | 1.435 |
Total number of observations | 729273 | ||
Number of reflections | 1001501 | 2323 | 14025 |
<I/σ(I)> | 3.28 | 5.61 | 0.97 |
Completeness [%] | 71.8 | 65.9 | 66.6 |
Redundancy | 3.54 | 4.823 | 2.732 |
CC(1/2) | 0.942 | 0.989 | 0.261 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 292 | 0.1-0.2 M arginine-HCl, 0.1 M Tris-HCl, pH 7.6, 2.5% PEG20000, 7-12% MPD, 0.5 mM BME |