1VJQ
Designed protein based on backbone conformation of procarboxypeptidase-A (1AYE) with sidechains chosen for maximal predicted stability.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Detector technology | CCD |
| Collection date | 2004-01-07 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.442, 65.041, 39.201 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.721 - 2.098 |
| Rwork | 0.199 |
| R-free | 0.29060 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.411 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.06) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.721 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.098 | 4.520 | 2.100 |
| Rmerge | 0.108 | 0.066 | 0.375 |
| Number of reflections | 8236 | ||
| Completeness [%] | 85.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 290 | 1 ul protein 6.87 mg/ml 1 ul crystallization buffer 20% PEG 1000, 40 mM CaCl, 100 mM NaAc 1 ul micro-seeds of sulfur-Met protein in crystallization buffer, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
