2PV3
Crystallographic Structure of SurA fragment lacking the second peptidyl-prolyl isomerase domain complexed with peptide NFTLKFWDIFRK
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-21 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 148.330, 148.330, 188.680 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 3.390 |
R-factor | 0.284 |
Rwork | 0.284 |
R-free | 0.29900 |
Structure solution method | MAD |
Starting model (for MR) | 1m5y |
RMSD bond length | 0.010 |
RMSD bond angle | 1.280 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | SnB |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.520 |
High resolution limit [Å] | 3.390 | 3.390 |
Number of reflections | 33486 | |
<I/σ(I)> | 17.5 | |
Completeness [%] | 99.1 | 99.8 |
Redundancy | 4.2 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.4~1.8M sodium chloride, 0.1M potassium dihydrogen phosphate, 0.1 M sodium dihydrogen phosphate, 0.1M MES buffer, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.4~1.8M sodium chloride, 0.1M potassium dihydrogen phosphate, 0.1 M sodium dihydrogen phosphate, 0.1M MES buffer, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |