4JQZ
Human procaspase-3, crystal form 2
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 | 2011-01-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.116 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.256, 54.361, 162.014 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.000 - 2.889 |
R-factor | 0.2318 |
Rwork | 0.229 |
R-free | 0.25650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jqy |
RMSD bond length | 0.002 |
RMSD bond angle | 0.484 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.4.0) |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
High resolution limit [Å] | 2.889 | 6.240 | 2.889 |
Rmerge | 0.114 | 0.787 | |
Number of reflections | 10022 | ||
<I/σ(I)> | 15 | 1.95 | |
Completeness [%] | 95.1 | 99.7 | 93.7 |
Redundancy | 5.9 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 291 | 10 mM Tris, pH 8.0, 10 mM DTT, 50 mM sodium chloride, 16% PEG3350, 150 mM ammonium citrate, pH 4.9, 1 mM 1541 derivative, 5% DMSO, VAPOR DIFFUSION, HANGING DROP, temperature 291K |