1HVB
CRYSTAL STRUCTURE OF STREPTOMYCES R61 DD-PEPTIDASE COMPLEXED WITH A NOVEL CEPHALOSPORIN ANALOG OF CELL WALL PEPTIDOGLYCAN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-01-29 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 0.9790 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.778, 66.664, 100.928 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.170 |
R-factor | 0.1141 |
Rwork | 0.113 |
R-free | 0.15280 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3pte |
RMSD bond length | 0.014 |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.210 |
High resolution limit [Å] | 1.170 | 1.170 |
Rmerge | 0.040 | 0.162 |
Total number of observations | 2330719 * | |
Number of reflections | 111370 | |
<I/σ(I)> | 25 | 4.6 |
Completeness [%] | 95.9 | 73 * |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 6.8 | 298 | Kuzin, A.P., (1995) Biochemistry, 34, 9532. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | PEG8000 | 20 (%(w/v)) | |
2 | 1 | 1 | phosphate | 50 (mM) |