3RLZ
2.0 Angstrom X-ray structure of bovine Ca(2+)-S100B D63N
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-01-01 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.823, 34.950, 57.584 |
| Unit cell angles | 90.00, 92.80, 90.00 |
Refinement procedure
| Resolution | 57.520 - 2.010 |
| R-factor | 0.2103 |
| Rwork | 0.208 |
| R-free | 0.25870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iqq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.494 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.520 | 50.000 | 2.080 |
| High resolution limit [Å] | 2.010 | 4.330 | 2.010 |
| Rmerge | 0.079 | 0.061 | 0.303 |
| Number of reflections | 11828 | ||
| <I/σ(I)> | 15.6 | ||
| Completeness [%] | 97.4 | 99.4 | 90.3 |
| Redundancy | 3.5 | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SITTING DROP | 7 | 295 | 25% PEG3350, 7.5 mM calcium chloride, 100 mM cacodylate, SITTING DROP, temperature 295K |
