5MAP
X-ray generated oxyferrous complex of DtpA from Streptomyces lividans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.786, 70.627, 77.656 |
Unit cell angles | 90.00, 93.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.490 |
R-factor | 0.22 |
Rwork | 0.218 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4grc |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.15) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.520 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.110 | 0.912 |
Number of reflections | 103431 | |
<I/σ(I)> | 8 | |
Completeness [%] | 98.3 | 99.7 |
Redundancy | 2.9 | 3 |
CC(1/2) | 0.993 | 0.509 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | Crystals were grown by the vapour diffusion hanging drop method using a ferric protein solution at 13 mg/ml equilibrated against a reservoir consisting of 17-24% PEG 3000 and 50-100 mM sodium citrate, pH 5.5. |