4PFS
Crystal Structure of Cobyrinic Acid a,c-diamide synthase from Mycobacterium smegmatis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-27 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 88.810, 88.810, 122.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.720 - 2.300 |
R-factor | 0.171 |
Rwork | 0.168 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wcv |
Phasing software | BALBES |
Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1675)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.000 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.088 | 0.515 |
Number of reflections | 22458 | |
<I/σ(I)> | 19.92 | 4.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | EBS INTERNAL TRACKING NUMBER 500 MM NACL, 2 MM DTT, 0.025% SODIUM AZIDE, 5% GLYCEROL, 0.4 100 MM TRIS PH 8.0; 10% MPD ADDED AS CRYOPROTECTANT, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K |