2J83
Ulilysin metalloprotease in complex with batimastat.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 118.850, 60.730, 168.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.161 |
Rwork | 0.161 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cki |
RMSD bond length | 0.009 |
RMSD bond angle | 1.181 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.600 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.040 | 0.070 |
Number of reflections | 154616 | |
<I/σ(I)> | 24.2 | 13.9 |
Completeness [%] | 97.0 | 90.3 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | VAPOUR-DIFFUSION CRYSTALLISATION METHOD FROM SITTING DROPS CONSISTING OF 1 MICROLITER OF PROULILYSIN (5 MG/ML IN 30MM TRIS-HCL PH 7.5, 2MM DITHIOTHREITOL, 100MM NACL), 1 MICROLITER OF RESERVOIR SOLUTION (18% PEG 8000, 0.1M 2-MORPHOLINOETHANESULFONIC ACID, PH6.5, 0.2M CACL2) AND, OPTIONALLY, 0.2 MICROLITER OF 0.1M SPERMIDINE OR 30% 2, 4-METHYLPENTANEDIOL AS ADDITIVES. |