4JR2
Human procaspase-7/caspase-7 heterodimer bound to Ac-DEVD-CMK
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.116 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.493, 88.663, 88.891 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.867 - 1.650 |
R-factor | 0.1629 |
Rwork | 0.161 |
R-free | 0.19650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f1j |
RMSD bond length | 0.007 |
RMSD bond angle | 1.104 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
Rmerge | 0.055 | 0.024 | 0.594 |
Number of reflections | 55958 | ||
<I/σ(I)> | 19.2 | 2.1 | |
Completeness [%] | 99.3 | 98.5 | 98.7 |
Redundancy | 3.4 | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 10 mM Tris, pH 8.0, 2 mM DTT, 50 mM sodium chloride, 200 mM sodium/potassium phosphate, 100 mM Bis-Tris propane, pH 6.5, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |