1YXA

Serpina3n, a murine orthologue of human antichymotrypsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	83.340, 92.620, 118.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.010 - 2.100
R-factor	0.195
Rwork	0.193
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QLP DIFFERENCES TO ALA
RMSD bond length	0.010
RMSD bond angle	1.224
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP (8.2.01version5.0:04/07/04)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.075	0.034	0.415
Number of reflections	57467
<I/σ(I)>	15.59
Completeness [%]	92.4	91	72.9
Redundancy	3.2	3.6	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	295	0.1M Na tartarate, 0.1M HEPES, 24% PEG 3350, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K