3N2C
Crystal structure of prolidase eah89906 complexed with n-methylphosphonate-l-proline
Replaces: 3LWYExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-18 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 |
Unit cell lengths | 113.186, 108.035, 170.772 |
Unit cell angles | 81.32, 80.47, 73.76 |
Refinement procedure
Resolution | 40.000 - 2.810 |
R-factor | 0.22182 |
Rwork | 0.220 |
R-free | 0.27297 |
Structure solution method | MR |
Starting model (for MR) | 3feq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.142 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.180 | |
Number of reflections | 186340 | |
<I/σ(I)> | 3.5 | 0.5 |
Completeness [%] | 98.3 | 97 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 8% PEG8000, MES, PH 6.0, 200MM SODIUM ACETATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 280K |