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5I5Q

Re refinement of 4mwn.

Replaces:  4MWN
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR-H
Temperature [K]294
Detector technologyCCD
Collection date2012-12-15
DetectorAPEX II CCD
Wavelength(s)1.5418
Spacegroup nameP 1
Unit cell lengths27.346, 32.134, 34.296
Unit cell angles88.04, 71.17, 68.35
Refinement procedure
Resolution32.310 - 1.420
R-factor0.18734
Rwork0.185
R-free0.23687
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4mwn
RMSD bond length0.020
RMSD bond angle1.894
Data reduction softwareSAINT
Data scaling softwareAPEX
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]32.3101.510
High resolution limit [Å]1.4201.420
Rmerge0.1450.554
Number of reflections18176
<I/σ(I)>6.81.1
Completeness [%]94.898.5
Redundancy5.72
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1BATCH MODE4.7294CRYSTALLIZATION CONDITIONS: 40MG HEWL CO-CRYSTALLISED WITH 2.6MG CISPLATIN, WITH THE PLATINUM COMPOUNDS BEING IN A 3-FOLD MOLAR EXCESS TO THE PROTEIN, 462.5 UL OF A 0.02M NAAC SOLUTION ALONG WITH 462.5 UL OF A 0.5M NANO3 SOLUTION WAS USED WITH 75 UL DMSO ADDED, BATCH, PH 4.7, EVAPORATION, TEMPERATURE 294K

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