2IFY
Structure of Bacillus anthracis cofactor-independent phosphoglucerate mutase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.620, 72.737, 185.176 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.410 - 2.380 |
R-factor | 0.265 |
Rwork | 0.245 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.380 | 2.380 |
Rmerge | 0.108 | 0.433 |
Number of reflections | 22459 | |
<I/σ(I)> | 9.9 | 2.1 |
Completeness [%] | 91.8 | 84.2 |
Redundancy | 3.2 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 24% PEG 8000. 100mM Tris-HCl, 200mM calcium acetate, 3% 1,5-diaminopentane di-HCl, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |