1L3F
Thermolysin in the Absence of Substrate has an Open Conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | .9778 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 97.052, 97.052, 106.583 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.300 |
Rwork | 0.202 |
R-free | 0.30200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB MODEL 8TLN |
RMSD bond length | 0.016 |
RMSD bond angle | 3.200 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.096 * | 0.540 * |
Total number of observations | 205247 * | |
Number of reflections | 22538 * | |
<I/σ(I)> | 4.4 | 1.4 |
Completeness [%] | 96.7 | 79.2 |
Redundancy | 9.1 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | MES, dimethylsulfoxide, NaCl, Zn Acetate, pH 6.00, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | 0.7-0.9 (M) | ||
2 | 1 | drop | zinc acetate | 0.4 (M) | |
3 | 1 | reservoir | ammonium sulfate | 30 (%) |