Mass: 39031.922 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: reactive loop cleaved human kallistatin with an Extra Gly at the N-terminus Source: (gene. exp.) Homo sapiens (human) / Gene: SERPINA4, KST, PI4 / Plasmid: Psumo3-Kal / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P29622
Mass: 4568.324 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: reactive loop cleaved human kallistatin with an Extra Gly at the N-terminus Source: (gene. exp.) Homo sapiens (human) / Gene: SERPINA4, KST, PI4 / Plasmid: Psumo3-Kal / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P29622
Type: DECTRIS PILATUS3 X CdTe 1M / Detector: PIXEL / Date: Jan 1, 2011
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.196 Å / Relative weight: 1
Reflection
Resolution: 1.9→35.67 Å / Num. obs: 44414 / % possible obs: 99.9 % / Redundancy: 4.2 % / Biso Wilson estimate: 30.1 Å2 / Rmerge(I) obs: 0.043 / Net I/σ(I): 14
Reflection shell
Resolution: 1.9→2 Å / Redundancy: 4.1 % / Rmerge(I) obs: 0.326 / Mean I/σ(I) obs: 2.5 / Num. unique obs: 6433 / % possible all: 99.7
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
MOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Resolution: 1.9→98.5 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.957 / SU B: 5.288 / SU ML: 0.076 / Cross valid method: THROUGHOUT / ESU R: 0.11 / ESU R Free: 0.106 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19526
2208
5 %
RANDOM
Rwork
0.16706
-
-
-
obs
0.16848
41647
99.61 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK