3UF8
Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with a G95A surface mutation from Burkholderia pseudomallei complexed with FK506
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-16 |
Detector | ADSC Q315R |
Wavelength(s) | 0.9774 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.400, 32.770, 76.990 |
Unit cell angles | 90.00, 90.59, 90.00 |
Refinement procedure
Resolution | 17.750 - 1.500 |
R-factor | 0.158 |
Rwork | 0.156 |
R-free | 0.18300 |
Structure solution method | MR, MR |
RMSD bond length | 0.011 |
RMSD bond angle | 1.530 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.540 |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.039 | 0.017 | 0.301 |
Number of reflections | 29417 | 347 | 2145 |
<I/σ(I)> | 23.06 | 58.4 | 4.7 |
Completeness [%] | 99.8 | 93 | 99.9 |
Redundancy | 4.03 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | Internal tracking number 226425. JCSG well A8. 0.2M Ammonium Formate, 20.0% w/v PEG3500, PEG400 Cryo. BupsA.00130.a.D242 PD00198 21.4mg/ml, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K |