1DZG

N135Q-S380C-ANTITHROMBIN-III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	68.610, 99.540, 88.690
Unit cell angles	90.00, 104.79, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.228 *
Rwork	0.228
R-free	0.29700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ant
RMSD bond length	0.011 *
RMSD bond angle	0.021
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.800
Rmerge	0.131
Total number of observations	98714 *
Number of reflections	27983 *
<I/σ(I)>	7.4
Completeness [%]	98.3
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5		5MG/ML 1:1 MIX OF INHIBITORY: LATENT ANTITHROMBIN-III, 10.5% PEG 4000, 65 MM NACACODYLATE, PH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	5 (mg/ml)
2	1	1	PEG4000	10.5 (%)
3	1	1	sodium cacodylate	65 (mM)