4NDR
Crystal structure Molybdenum Storage Protein with fully Mo-loaded cavity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-15 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 114.270, 114.270, 234.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 9.996 - 2.000 |
| R-factor | 0.1651 |
| Rwork | 0.164 |
| R-free | 0.19140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f6t |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.839 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 | 2.000 |
| High resolution limit [Å] | 1.900 | 2.000 | 1.900 |
| Number of reflections | 71122 | ||
| <I/σ(I)> | 16.6 | ||
| Completeness [%] | 99.1 | 98.9 | 97.8 |
| Redundancy | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 0,1 M NaCitrate, 1.1 M (NH4)HCitrate, 0.1 M (NH4)H2PO4, 15% (v/v)EG, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
