4HZH

Structure of recombinant Gla-domainless prothrombin mutant S525A

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	2012-04-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	82.584, 103.136, 149.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 3.300
R-factor	0.2963
Rwork	0.295
R-free	0.32878
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID code: 3NXP
RMSD bond length	0.007
RMSD bond angle	1.225
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (from ccp4)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	3.720	3.360
High resolution limit [Å]	3.300	3.630	3.300
Rmerge	0.180	0.335	0.449
Number of reflections	19155
<I/σ(I)>	5.4	3.3	2.1
Completeness [%]	96.9	96.7	93.1
Redundancy	3.9	3.4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	100 mM Tris-Hcl, pH 8.5 and 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 295K