4ZRZ
PlyCB mutant R66E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-11-02 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 130.428, 130.428, 130.428 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.000 - 1.720 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.24920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f87 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.382 |
| Data reduction software | d*TREK (9.9.8.6 W9RSSI) |
| Data scaling software | d*TREK (9.9.8.6 W9RSSI) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.660 | 19.660 | 1.780 |
| High resolution limit [Å] | 1.720 | 3.700 | 1.720 |
| Rmerge | 0.028 | 0.019 | 0.417 |
| Total number of observations | 104605 | 12511 | 3881 |
| Number of reflections | 20025 | ||
| <I/σ(I)> | 25.4 | 76.8 | 2.7 |
| Completeness [%] | 98.1 | 100 | 85.2 |
| Redundancy | 5.18 | 5.65 | 2.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 14 mg/mL ptn, 43% MPD, 30 mM AmSO4, 70 mM Na Hepes |
