1FMX
STRUCTURE OF NATIVE PROTEINASE A IN THE SPACE GROUP P21
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 | 2000-02-17 |
| Detector | ADSC QUANTUM |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.964, 49.074, 94.685 |
| Unit cell angles | 90.00, 96.50, 90.00 |
Refinement procedure
| Resolution | 24.990 - 2.600 * |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.28050 * |
| RMSD bond length | 0.014 |
| RMSD bond angle | 26.600 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.086 | 0.562 |
| Total number of observations | 75834 * | |
| Number of reflections | 22963 | |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 98.8 | 97.6 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 * | 298 | PEG 1500, Ammonium Sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG1500 | 28 (%) | |
| 2 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 3 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |
| 4 | 1 | drop | MES | 20 (mM) | pH6.6 |
| 5 | 1 | drop | protein | 5 (mg/ml) |
