1KBR
CRYSTAL STRUCTURE OF UNLIGATED HPPK(R92A) FROM E.COLI AT 1.55 ANGSTROM RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.340, 46.943, 42.907 |
| Unit cell angles | 90.00, 110.49, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.550 |
| R-factor | 0.16 |
| Rwork | 0.168 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1IM6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.025 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.093 | 0.510 |
| Total number of observations | 81783 * | |
| Number of reflections | 19262 | |
| <I/σ(I)> | 14.5882 | 1.8248 |
| Completeness [%] | 96.3 | 92.5 |
| Redundancy | 4.246 | 4.012 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 18-20 * | PEG4000, SODIUM CHLORIDE, ACETATE , pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
| 3 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 4 | 1 | reservoir | sodium acetate | 200 (mM) | |
| 5 | 1 | reservoir | 100 (mM) | ||
| 6 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
