5YSG
X-ray Crystal Structure of Pseudoazurin Met16Gly Variant, Reduced Form.
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 | 2017-06-06 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.530, 91.490, 78.570 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 29.920 - 2.000 |
| R-factor | 0.17369 |
| Rwork | 0.172 |
| R-free | 0.20254 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bqk |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.961 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.002 | 29.922 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.023 | 0.352 | |
| Rmeas | 0.065 | 0.027 | 0.417 |
| Rpim | 0.034 | 0.015 | 0.220 |
| Number of reflections | 43773 | 1415 | 6367 |
| <I/σ(I)> | 15.2 | 23.5 | 2.2 |
| Completeness [%] | 100.0 | 99.2 | 100 |
| Redundancy | 3.6 | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 30 % PEG1000, 0.1 M Tris-HCl |
