1F57
CARBOXYPEPTIDASE A COMPLEX WITH D-CYSTEINE AT 1.75 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-08-15 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.389, 57.712, 58.193 |
| Unit cell angles | 90.00, 101.62, 90.00 |
Refinement procedure
| Resolution | 14.780 - 1.750 |
| R-factor | 0.137 |
| Rwork | 0.137 |
| R-free | 0.16400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5CPA excluding Zn and waters |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.065 | 0.248 |
| Total number of observations | 99346 * | |
| Number of reflections | 28954 | 2679 * |
| <I/σ(I)> | 14.5 | 4.8 |
| Completeness [%] | 99.1 | 92.9 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 6 | 291 | LiCl, MES, pH 6.0, MICRODIALYSIS, temperature 18K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | 0.15 (M) | ||
| 2 | 1 | 1 | MES | 25 (mM) | |
| 3 | 1 | 1 | D-Cys | 0.5 (mM) |
