4F1B
Human Insulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.45860 |
Spacegroup name | H 3 |
Unit cell lengths | 81.990, 81.990, 33.750 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.990 - 1.591 |
R-factor | 0.1491 |
Rwork | 0.145 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 1.862 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.995 | 21.006 | 1.680 |
High resolution limit [Å] | 1.591 | 5.030 | 1.591 |
Rmerge | 0.038 | 0.354 | |
Total number of observations | 1241 | 4543 | |
Number of reflections | 10239 | ||
<I/σ(I)> | 11.6 | 14.3 | 1.7 |
Completeness [%] | 90.2 | 98.3 | 99.9 |
Redundancy | 3.2 | 3.5 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 2 uL 0.1 M sodium phosphate, pH 5.5, 10% w/v PEG6000 + 2 uL 100 U/mL human insulin (Novolin R, lot # TS 62987), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |