3P6L
Crystal structure of a Sugar phosphate isomerase/epimerase (BDI_1903) from Parabacteroides distasonis ATCC 8503 at 1.85 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9537,0.9796,0.9794 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 82.382, 73.014, 47.536 |
Unit cell angles | 90.00, 103.73, 90.00 |
Refinement procedure
Resolution | 28.638 - 1.850 |
R-factor | 0.1889 |
Rwork | 0.186 |
R-free | 0.23850 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.599 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.638 | 28.638 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.042 | 0.818 | |
Total number of observations | 823 | 5331 | |
Number of reflections | 23324 | ||
<I/σ(I)> | 7.9 | 13.9 | 0.8 |
Completeness [%] | 99.6 | 95.8 | 100 |
Redundancy | 3 | 3.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.33 | 277 | 45.5% polyethylene glycol 600, 0.1M phosphate-citrate pH 4.33, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |