2PYS
Crystal Structure of a Five Site Mutated Cyanovirin-N with a Mannose Dimer Bound at 1.8 A Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-11-09 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.226, 38.281, 55.794 |
Unit cell angles | 90.00, 99.69, 90.00 |
Refinement procedure
Resolution | 9.990 - 1.800 |
R-factor | 0.171 |
Rwork | 0.169 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lom |
RMSD bond length | 0.017 |
RMSD bond angle | 1.733 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (1.3.1 ARP/WARP 6.0) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.220 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.094 | 0.244 |
Number of reflections | 19361 | |
<I/σ(I)> | 8.13 | 2.92 |
Completeness [%] | 87.7 | 82.33 |
Redundancy | 1.9 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 30% PEG 8000, 100 MM MGSO4, 2 MM MAN2, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K |