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4NT6

HLA-C*0801 Crystal Structure

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR
Temperature [K]200
Detector technologyCCD
Collection date2011-09-02
DetectorBruker Platinum 135
Spacegroup nameC 1 2 1
Unit cell lengths94.401, 75.687, 61.880
Unit cell angles90.00, 120.29, 90.00
Refinement procedure
Resolution55.460 - 1.840
R-factor0.183
Rwork0.180
R-free0.22900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1qqd
RMSD bond length0.013
RMSD bond angle1.597
Data reduction softwarePROTEUM PLUS (PLUS)
Data scaling softwarePROTEUM PLUS (PLUS)
Phasing softwareAMoRE
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.4601.880
High resolution limit [Å]1.7901.840
Number of reflections35257
<I/σ(I)>19.23.3
Completeness [%]66.689.9
Redundancy12.652.64
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52910.05M CALCIUM CHLORIDE DIHYDRATE, 0.1M BIS-TRIS, 30%(V/V) POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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