4MI1
Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with aspartyl sulfamoyl adenylates
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | P 43 |
Unit cell lengths | 117.894, 117.894, 55.984 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.080 - 1.400 |
R-factor | 0.1293 |
Rwork | 0.128 |
R-free | 0.15820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gjz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.377 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_1639) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 117.000 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.048 | |
Number of reflections | 188639 | |
<I/σ(I)> | 30 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 20 % Peg 3350, Ammonium Citrate tribasic, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |