6PX5

CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-11-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	100.134, 100.134, 118.679
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.020 - 2.400
R-factor	0.2263
Rwork	0.223
R-free	0.28210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e6p
RMSD bond length	0.008
RMSD bond angle	1.714
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.100	0.396
Number of reflections	25684	1287
<I/σ(I)>	15.7	2.6
Completeness [%]	94.1	96.2
Redundancy	7.6	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10 mM zinc sulfate, 100 mM MES, pH 6.5, 25% PEG 550 MME