4IQD
Crystal Structure of Carboxyvinyl-Carboxyphosphonate Phosphorylmutase from Bacillus anthracis
Replaces: 3IH1Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 105.543, 105.543, 114.684 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.574 - 2.000 |
R-factor | 0.148 |
Rwork | 0.142 |
R-free | 0.18800 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.803 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.600 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 50248 | |
<I/σ(I)> | 9.6 | 3.15 |
Completeness [%] | 99.8 | 97.2 |
Redundancy | 11.7 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.2 M ammonium citrate tribasic pH 7.0, 20 PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |