2C6C
membrane-bound glutamate carboxypeptidase II (GCPII) in complex with GPI-18431 (S)-2-(4-iodobenzylphosphonomethyl)-pentanedioic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 261 |
Detector technology | CCD |
Collection date | 2002-12-13 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9537, 1.26 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 103.127, 131.189, 161.225 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.000 |
R-factor | 0.191 |
Rwork | 0.190 |
R-free | 0.22500 |
Structure solution method | SAD |
RMSD bond length | 0.023 |
RMSD bond angle | 1.832 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE/RESOLVE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.070 | |
Number of reflections | 69874 | |
<I/σ(I)> | 15.8 | |
Completeness [%] | 94.3 | 96.7 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.25 | 20 MM HEPES PH 7.25, 200 MM NACL, 5% (W/V) PEG 400 AND 15% (W/V) PEG 1500. |