2VRP
Structure of rhodocytin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-08 |
Detector | MARRESEARCH |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 61.933, 89.368, 120.996 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.760 - 2.410 |
R-factor | 0.204 |
Rwork | 0.201 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | COMPOSITE MODEL CONSISTING OF PDB ENTRY 1IOD PDB ENTRY 1J34 PDB ENTRY 1C3A PDB ENTRY 1UMR |
RMSD bond length | 0.017 |
RMSD bond angle | 1.916 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.040 | 0.120 |
Number of reflections | 13367 | |
<I/σ(I)> | 37.75 | 7.05 |
Completeness [%] | 94.7 | 80.8 |
Redundancy | 4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 2M AMMONIUM SULPHATE, 5% 2-PROPANOL, pH 8 |