3TMQ
Crystal structure of a 2-dehydro-3-deoxyphosphooctonate aldolase from Burkholderia pseudomallei in complex with D-arabinose-5-phosphate
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 | 2011-08-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.720, 92.080, 152.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.200 - 2.100 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sz8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.415 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.200 | 2.100 | |
High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
Rmerge | 0.106 | 0.031 | 0.553 |
Number of reflections | 78647 | 932 | 5143 |
<I/σ(I)> | 13.87 | 33.8 | 3.1 |
Completeness [%] | 98.0 | 90.5 | 87.7 |
Redundancy | 5.32 | 4.31 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | Internal tracking number224822. PACT screen F5. 0.2M Sodium nitrate, 0.1M BIS-TRIS propane, 20% PEG3350, protein drop contains 10mM D-arabinose-5-phosphate. BupsA.00102a.A1 PS00621 30.3mg/ml., pH 6.5, vapor diffusion, sitting drop, temperature 290K |