2ODY
Thrombin-bound boophilin displays a functional and accessible reactive-site loop
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-07-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.93100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.500, 104.200, 129.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.190 - 2.350 |
R-factor | 0.19235 |
Rwork | 0.190 |
R-free | 0.22995 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mkx |
RMSD bond length | 0.008 |
RMSD bond angle | 1.137 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.900 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.064 | 0.290 |
Number of reflections | 51554 | |
<I/σ(I)> | 9.5 | 2.6 |
Completeness [%] | 98.0 | 97.4 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 279 | 18% PEG 8000, 0.05M Potassium phosphate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 279K |