1VPB
CRYSTAL STRUCTURE OF A PUTATIVE MODULATOR OF DNA GYRASE (BT3649) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 1.75 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 | 2004-07-06 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 73.541, 154.968, 106.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.780 - 1.750 |
R-factor | 0.17951 |
Rwork | 0.178 |
R-free | 0.20393 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.644 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.770 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.052 | 0.428 |
Number of reflections | 61062 | |
<I/σ(I)> | 30.27 | 3.61 |
Completeness [%] | 98.7 | 86.87 |
Redundancy | 4.73 | 3.37 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 7.3 | 277 | 0.2M KFormate, 20.0% PEG-3350, No Buffer pH 7.3, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 7.3 | 277 | 0.2M KFormate, 20.0% PEG-3350, No Buffer pH 7.3, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 7.3 | 277 | 0.2M KFormate, 20.0% PEG-3350, No Buffer pH 7.3, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K |