4MWA
1.85 Angstrom Crystal Structure of GCPE Protein from Bacillus anthracis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 3 |
Unit cell lengths | 162.676, 162.676, 76.484 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.770 - 1.850 |
R-factor | 0.12741 |
Rwork | 0.125 |
R-free | 0.16856 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.517 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0046) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.096 | 0.588 |
Number of reflections | 192231 | |
<I/σ(I)> | 35.1 | 3.4 |
Completeness [%] | 99.4 | 94.8 |
Redundancy | 10.8 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | Protein: 2.7mg/mL, 0.3M Sodium cloride, 0.1M HEPES pH 7.5; Screen: 0.2M Ammonium sulpfate, 0.1M Bis-tris pH 6.5, 25% (v/v) PEG3350 + 1/10 (v/v) papain; Cryo: paratone, VAPOR DIFFUSION, HANGING DROP, temperature 295K |