2PRO
PRO REGION OF ALPHA-LYTIC PROTEASE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-03-23 |
| Detector | FUJI |
| Wavelength(s) | 0.9690, 0.97915, 0.97938 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.600, 54.700, 64.000 |
| Unit cell angles | 104.00, 102.50, 91.90 |
Refinement procedure
| Resolution | 6.000 - 3.000 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.34200 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | X-PLOR (3.854) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.000 | 3.140 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.052 | 0.222 |
| Total number of observations | 39904 * | |
| Number of reflections | 22778 | |
| <I/σ(I)> | 13 | 3.4 |
| Completeness [%] | 93.5 | 94.9 |
| Redundancy | 1.6 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 | 7 * | used to seeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9 (mg/ml) | |
| 10 | 1 | reservoir | lithium sulfate | 0.8 (M) | bufferA |
| 11 | 1 | reservoir | glycerol | 5 (%) | bufferA |
| 12 | 1 | drop | bufferA | 0.45 times | |
| 2 | 1 | drop | lithium sulfate | 0.34 (M) | |
| 3 | 1 | drop | glycerol | 2.3 (%) | |
| 4 | 1 | drop | dithiothreitol | 2 (mM) | |
| 5 | 1 | drop | MES | 2.7 (mM) | |
| 6 | 1 | reservoir | citric acid | 15 (mM) | bufferA |
| 7 | 1 | reservoir | phosphoric acid | 30 (mM) | bufferA |
| 8 | 1 | reservoir | orthoboric acid | 26 (mM) | bufferA |
| 9 | 1 | reservoir | sodium hydroxide | 0.155 (M) | bufferA |
