3PRO
ALPHA-LYTIC PROTEASE COMPLEXED WITH C-TERMINAL TRUNCATED PRO REGION
Experimental procedure
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-03-05 |
Detector | MAR scanner 300 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.150, 101.000, 72.140 |
Unit cell angles | 90.00, 109.55, 90.00 |
Refinement procedure
Resolution | 67.400 - 1.800 |
R-factor | 0.207 |
Rwork | 0.207 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tal |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.854) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.400 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.086 | 0.208 |
Total number of observations | 176771 * | |
Number of reflections | 73741 * | |
<I/σ(I)> | 16.9 | 3.6 |
Completeness [%] | 96.5 | 95.5 |
Redundancy | 3.46 | 2.3 |
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 |