2P8I
Crystal structure of putative dioxygenase (YP_555069.1) from Burkholderia xenovorans LB400 at 1.40 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-07 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.98086 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.835, 138.772, 44.046 |
Unit cell angles | 90.00, 98.43, 90.00 |
Refinement procedure
Resolution | 30.002 - 1.400 |
R-factor | 0.145 |
Rwork | 0.144 |
R-free | 0.17300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nyh |
RMSD bond length | 0.017 |
RMSD bond angle | 1.555 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.002 | 30.000 | 1.440 |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.071 | 0.037 | 0.466 |
Total number of observations | 3474 | 13215 | |
Number of reflections | 85722 | ||
<I/σ(I)> | 6.9 | 15.6 | 1.7 |
Completeness [%] | 85.0 | 95.6 | 82.3 |
Redundancy | 3.2 | 3.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277 | NANODROP, 0.2M NaCl, 10.0% PEG 3000, 0.1M Phosphate Citrate pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |