3RNZ
Crystal structure of Bacillus Amyloliquefaciens Pyroglutamyl Peptidase I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-03-10 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 289.890, 45.360, 68.090 |
| Unit cell angles | 90.00, 91.34, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.010 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aug |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.840 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.040 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.035 | 0.138 |
| Number of reflections | 59251 | |
| <I/σ(I)> | 32.9 | 8.4 |
| Completeness [%] | 99.6 | 98.6 |
| Redundancy | 4.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 298 | 1.8M sodium phosphate monobasic monohydrate, potassium phosphate dibasic, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
