1KWM

Human procarboxypeptidase B: Three-dimensional structure and implications for thrombin-activatable fibrinolysis inhibitor (TAFI)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-12-15
Detector	MARRESEARCH
Wavelength(s)	0.97935
Spacegroup name	P 1 21 1
Unit cell lengths	42.959, 83.558, 127.447
Unit cell angles	90.00, 99.12, 90.00

Refinement procedure

Resolution	27.400 - 1.600
R-factor	0.136
Rwork	0.135
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006 *
RMSD bond angle	1.670 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.400	1.680
High resolution limit [Å]	1.600	1.600
Rmerge	0.050 *	0.241 *
Total number of observations	303465 *
Number of reflections	104805
<I/σ(I)>	8.4	2.7
Completeness [%]	89.7	81.9
Redundancy	2.9 *	2.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	20 *	MES, sodium citrate, sodium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	drop	MOPS	5 (mM)	pH7.0
3	1	drop		150 (mM)
4	1	drop	benzamidine	0.1 (mM)
5	1	reservoir	MES	0.1 (M)	pH6.0
6	1	reservoir	sodium citrate	1 (M)