5TOT

Crystal structure of AAT H143L:H189L double mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-12-19
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	55.310, 124.080, 129.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.020 - 1.400
R-factor	0.1841
Rwork	0.183
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5toq
RMSD bond length	0.006
RMSD bond angle	0.860
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall
Low resolution limit [Å]	31.020
High resolution limit [Å]	1.400
Number of reflections	174786
<I/σ(I)>	10.65
Completeness [%]	99.7
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	277	40 mM NaOAc, 2mM PLP, 8% PEG 6000